LRRK2
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LRRK2-IN-1,帕金森氏病激酶LRRK2的有效抑制剂CAS号 : 1234480-84-2 Compound CID : 46843906分子式: C31H38N8O3 分子量: 570.7IUPAC Name: 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-oneSMILES: CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OCInChIKey: IWMCPJZTADUIFX-UHFFFAOYSA-NInChI: InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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GNE7915,LRRK2抑制剂CAS号 : 1351761-44-8 Compound CID : 58539171分子式: C19H21F4N5O3 分子量: 443.4IUPAC Name: [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanoneSMILES: CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OCInChIKey: XCFLWTZSJYBCPF-UHFFFAOYSA-NInChI: InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
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MLi-2,LRRK2抑制剂CAS号 : 1627091-47-7 Compound CID : 78319901分子式: C21H25N5O2 分子量: 379.46IUPAC Name: (2R,6S)-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholineSMILES: CC1CN(CC(O1)C)C2=NC=NC(=C2)C3=NNC4=C3C=C(C=C4)OC5(CC5)CInChIKey: ATUUNJCZCOMUKD-OKILXGFUSA-NInChI: InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
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HG-10-102-01CAS号 : 1351758-81-0 Compound CID : 58539301分子式: C17H20ClN5O3 分子量: 377.83IUPAC Name: [4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanoneSMILES: CNC1=NC(=NC=C1Cl)NC2=C(C=C(C=C2)C(=O)N3CCOCC3)OCInChIKey: YEVOZZZLKJKCCD-UHFFFAOYSA-NInChI: InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
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GNE-0877CAS号 : 1374828-69-9 Compound CID : 69093374分子式: C14H16F3N7 分子量: 339.32IUPAC Name: 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrileSMILES: CC1=NN(C=C1NC2=NC=C(C(=N2)NC)C(F)(F)F)C(C)(C)C#NInChIKey: ZPPUMAMZIMPJGP-UHFFFAOYSA-NInChI: InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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GNE-9605CAS号 : 1536200-31-3 Compound CID : 76328936分子式: C17H20ClF4N7O 分子量: 449.83IUPAC Name: 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamineSMILES: CNC1=NC(=NC=C1C(F)(F)F)NC2=C(N(N=C2)C3CCN(CC3F)C4COC4)ClInChIKey: PUXPEQJKNAWNQA-AAEUAGOBSA-NInChI: InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1
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PF-06447475CAS号 : 1527473-33-1 Compound CID : 72706840分子式: C17H15N5O 分子量: 305.33IUPAC Name: 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrileSMILES: C1COCCN1C2=NC=NC3=C2C(=CN3)C4=CC=CC(=C4)C#NInChIKey: BHTWDJBVZQBRKP-UHFFFAOYSA-NInChI: InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
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GNE7915CAS号 : 1351761-44-8 Compound CID : 58539171分子式: C19H21F4N5O3 分子量: 443.4IUPAC Name: [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanoneSMILES: CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OCInChIKey: XCFLWTZSJYBCPF-UHFFFAOYSA-NInChI: InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
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GNE-0877CAS号 : 1374828-69-9 Compound CID : 69093374分子式: C14H16F3N7 分子量: 339.32IUPAC Name: 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrileSMILES: CC1=NN(C=C1NC2=NC=C(C(=N2)NC)C(F)(F)F)C(C)(C)C#NInChIKey: ZPPUMAMZIMPJGP-UHFFFAOYSA-NInChI: InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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GNE-9605CAS号 : 1536200-31-3 Compound CID : 76328936分子式: C17H20ClF4N7O 分子量: 449.83IUPAC Name: 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamineSMILES: CNC1=NC(=NC=C1C(F)(F)F)NC2=C(N(N=C2)C3CCN(CC3F)C4COC4)ClInChIKey: PUXPEQJKNAWNQA-AAEUAGOBSA-NInChI: InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1
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LRRK2-IN-1CAS号 : 1234480-84-2 Compound CID : 46843906分子式: C31H38N8O3 分子量: 570.7IUPAC Name: 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-oneSMILES: CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OCInChIKey: IWMCPJZTADUIFX-UHFFFAOYSA-NInChI: InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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PF-06447475CAS号 : 1527473-33-1 Compound CID : 72706840分子式: C17H15N5O 分子量: 305.33IUPAC Name: 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrileSMILES: C1COCCN1C2=NC=NC3=C2C(=CN3)C4=CC=CC(=C4)C#NInChIKey: BHTWDJBVZQBRKP-UHFFFAOYSA-NInChI: InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)