GSK-3
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BRD0705CAS号 : 2056261-41-5 Compound CID : 136980453分子式: C2OH23N3O 分子量: 321.42IUPAC Name: (4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-oneSMILES: CCC1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4InChIKey: NCKLQXXBRWCYMA-FQEVSTJZSA-NInChI: InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1
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(5Z)-2-氨基-5-(3,4-二甲氧基苄叉)-1,3-噻唑-4(5H)-酮CAS号 : 1198098-03-1 Compound CID : 1206249分子式: C12H12N2O3S 分子量: 264.3IUPAC Name: (5Z)-2-amino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4-oneSMILES: COC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N)OCInChIKey: UAAYANCJZUULAF-POHAHGRESA-NInChI: InChI=1S/C12H12N2O3S/c1-16-8-4-3-7(5-9(8)17-2)6-10-11(15)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14,15)/b10-6-
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WAY-606957CAS号 : 1062138-03-7分子式: C18H20N4O 分子量: 308.38SMILES: CC1=N[NH]C2=C1C(C3=CC=NC=C3)C4=C(CC(C)(C)CC4=O)N2
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AlsterpaulloneCAS号 : 237430-03-4 Compound CID : 5005498分子式: C16H11N3O3 分子量: 293.28IUPAC Name: 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-oneSMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]InChIKey: OLUKILHGKRVDCT-UHFFFAOYSA-NInChI: InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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AR-A014418CAS号 : 487021-52-3 Compound CID : 448014分子式: C12H12N4O4S 分子量: 308.31IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)ureaSMILES: COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-]InChIKey: YAEMHJKFIIIULI-UHFFFAOYSA-NInChI: InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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AZD2858CAS号 : 486424-20-8 Compound CID : 10138980分子式: C21H23N7O3S 分子量: 453.52IUPAC Name: 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamideSMILES: CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)NInChIKey: FHCSBLWRGCOVPT-UHFFFAOYSA-NInChI: InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)
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AZD1080CAS号 : 612487-72-6 Compound CID : 135564570分子式: C19H18N4O2 分子量: 334.37IUPAC Name: 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrileSMILES: C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)OInChIKey: BLTVBQXJFVRPFK-UHFFFAOYSA-NInChI: InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
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BikininCAS号 : 188011-69-0 Compound CID : 647833分子式: C9H9BrN2O3 分子量: 273.09IUPAC Name: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acidSMILES: C1=CC(=NC=C1Br)NC(=O)CCC(=O)OInChIKey: XFYYQDHEDOXWGA-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)
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BIO-acetoximeCAS号 : 667463-85-6 Compound CID : 135398521分子式: C18H12BrN3O3 分子量: 398.21IUPAC Name: [(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] acetateSMILES: CC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC(=C4)Br)OInChIKey: HUDSYNWJCPDHLL-CJLVFECKSA-NInChI: InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,21,24H,1H3/b22-16+
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头孢曲松钠CAS号 : 104376-79-6 Compound CID : 11953897分子式: C18H16N8Na2O7S3 · 3.5H2O 分子量: 661.58IUPAC Name: tetrasodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;heptahydrateSMILES: CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]InChIKey: KTAVBOYXMBQFGR-MAODNAKNSA-JInChI: InChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1
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CP21R7 (CP21)CAS号 : 125314-13-8 Compound CID : 5327711分子式: C19H15N3O2 分子量: 317.34IUPAC Name: 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dioneSMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)NInChIKey: RGTAEYDIDMGJLX-UHFFFAOYSA-NInChI: InChI=1S/C19H15N3O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,20H2,1H3,(H,21,23,24)
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头孢曲松钠CAS号 : 74578-69-1 Compound CID : 23679441分子式: C18H16N8Na2O7S3 分子量: 598.54IUPAC Name: sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]InChIKey: YOBPSXOHCHDCMU-VKZZUTNHSA-MInChI: InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8-;/t9-,15-;/m1./s1