小分子和化合物库
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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PHA-793887CAS号 : 718630-59-2 Compound CID : 46191454分子式: C19H31N5O2 分子量: 361.48IUPAC Name: N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamideSMILES: CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)CInChIKey: HUXYBQXJVXOMKX-UHFFFAOYSA-NInChI: InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
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白藜芦醇-4’-甲醚CAS号 : 33626-08-3 Compound CID : 6255462分子式: C15H14O3 分子量: 242.27IUPAC Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diolSMILES: COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)OInChIKey: IHVRWFJGOIWMGC-NSCUHMNNSA-NInChI: InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3/b3-2+
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Bay 61-3606盐酸盐CAS号 : 732983-37-8 Compound CID : 10200390分子式: C20H18N6O3 分子量: 390.40IUPAC Name: 2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamideSMILES: COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OCInChIKey: JWQOJVOKBAAAAR-UHFFFAOYSA-NInChI: InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
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10Z-Hymenialdisine,泛激酶抑制剂CAS号 : 82005-12-7分子式: C11H10BrN5O2 分子量: 324.13IUPAC Name: (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-oneSMILES: C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)BrInChIKey: ATBAETXFFCOZOY-DAXSKMNVSA-NInChI: InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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CHIR 98014(DMSO溶液)CAS号 : 556813-39-9 Compound CID : 9957049分子式: C20H17Cl2N9O2 分子量: 486.32IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamineSMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])NInChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-NInChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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CHIR 98014,GSK3抑制剂CAS号 : 556813-39-9 Compound CID : 9957049分子式: C20H17Cl2N9O2 分子量: 486.32IUPAC Name: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamineSMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])NInChIKey: NDFXSHIIGXVOKT-UHFFFAOYSA-NInChI: InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)
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BIP-135CAS号 : 941575-71-9 Compound CID : 16741475分子式: C21H13BrN2O3 分子量: 421.24IUPAC Name: 3-(1-benzofuran-3-yl)-4-(5-bromo-1-methylindol-3-yl)pyrrole-2,5-dioneSMILES: CN1C=C(C2=C1C=CC(=C2)Br)C3=C(C(=O)NC3=O)C4=COC5=CC=CC=C54InChIKey: QKQJCKAXFJBYKJ-UHFFFAOYSA-NInChI: InChI=1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26)
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Cdk2 / 9抑制剂CAS号 : 507487-89-0 Compound CID : 447961分子式: C14H12N6O2S 分子量: 328.35IUPAC Name: 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amineSMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]InChIKey: DYTKVFHLKPDNRW-UHFFFAOYSA-NInChI: InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
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PaulloneCAS号 : 142273-18-5 Compound CID : 369401分子式: C16H12N2O 分子量: 248.28IUPAC Name: 7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-oneSMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=CC=CC=C24InChIKey: VGMDAWVZNAXVDG-UHFFFAOYSA-NInChI: InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)
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