PI3K
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AS-605240,PI3Kγ抑制剂CAS号 : 648450-29-7 Compound CID : 5289247分子式: C12H7N3O2S 分子量: 257.27IUPAC Name: (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dioneSMILES: C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3InChIKey: SQWZFLMPDUSYGV-POHAHGRESA-NInChI: InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
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AZD6482,PI3-Kβ抑制剂CAS号 : 1173900-33-8 Compound CID : 44137675分子式: C22H24N4O4 分子量: 408.45IUPAC Name: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acidSMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4InChIKey: IRTDIKMSKMREGO-OAHLLOKOSA-NInChI: InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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AS-252424,PI3Kγ抑制剂CAS号 : 900515-16-4 Compound CID : 11630874分子式: C14H8FNO4S 分子量: 305.28IUPAC Name: (5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dioneSMILES: C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3InChIKey: OYYVWNDMOQPMGE-SDQBBNPISA-NInChI: InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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杨梅素分子式: C15H10O8 分子量: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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杨梅素分子式: C15H10O8 分子量: 318.24IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-NInChI: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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3-(4-甲基苯亚甲基)-樟脑CAS号 : 36861-47-9 Compound CID : 6440721分子式: C18H22O 分子量: 254.37IUPAC Name: (3Z)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-oneSMILES: CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)CInChIKey: HEOCBCNFKCOKBX-KAMYIIQDSA-NInChI: InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11-
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BGT226 (NVP-BGT226) maleateCAS号 : 1245537-68-1 Compound CID : 57336745分子式: C28H25F3N6O2.C4H4O4 分子量: 650.6IUPAC Name: (Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-oneSMILES: CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC.C(=CC(=O)O)C(=O)OInChIKey: YUXMAKUNSXIEKN-BTJKTKAUSA-NInChI: InChI=1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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NVP-BAG956,PI 3-激酶和PDPK1(PDK1)双重抑制剂CAS号 : 853910-02-8 Compound CID : 24882589分子式: C28H21N5 分子量: 427.51IUPAC Name: 2-methyl-2-[4-[2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrileSMILES: CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)C(C)(C)C#N)C#CC5=CN=CC=C5InChIKey: GVPAGJWVBUZHNQ-UHFFFAOYSA-NInChI: InChI=1S/C28H21N5/c1-19-32-26-17-31-25-13-8-20(6-7-21-5-4-14-30-16-21)15-24(25)27(26)33(19)23-11-9-22(10-12-23)28(2,3)18-29/h4-5,8-17H,1-3H3
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BKM120,体外PI3K抑制剂CAS号 : 944396-07-0 Compound CID : 16654980分子式: C18H21F3N6O2 分子量: 410.4IUPAC Name: 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amineSMILES: C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4InChIKey: CWHUFRVAEUJCEF-UHFFFAOYSA-NInChI: InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
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芒柄花苷分子式: C22H22O9 分子量: 430.4IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OInChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-NInChI: InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1