小分子和化合物库
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PP2,Src和RIP2激酶抑制剂CAS号 : 172889-27-9 Compound CID : 4878分子式: C15H16ClN5 分子量: 301.77IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amineSMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)NInChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-NInChI: InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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AZD7762CAS号 : 860352-01-8(DMSO)分子式: C17H19FN4O2S 分子量: 362.42SMILES: NC(=O)NC1=C(SC(=C1)C2=CC(=CC=C2)F)C(=O)NC3CCCNC3
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Dasatinib (BMS-354825)CAS号 : 302962-49-8(DMSO)分子式: C22H26ClN7O2S 分子量: 488.01SMILES: CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C
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PP2CAS号 : 172889-27-9(DMSO)分子式: C15H16ClN5 分子量: 301.77SMILES: CC(C)(C)[N]1N=C(C2=CC=C(Cl)C=C2)C3=C(N)N=CN=C13
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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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克莱拉尼CAS号 : 670220-88-9(DMSO)分子式: C26H29N5O2 分子量: 443.54SMILES: CC1(COC1)COC2=CC3=C(C=C2)[N](C=N3)C4=NC5=C(C=CC=C5C=C4)N6CCC(N)CC6
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AmpalexCAS号 : 154235-83-3 Compound CID : 148184分子式: C14H15N3O 分子量: 241.29IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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ARN-3236CAS号 : 1613710-01-2 Compound CID : 74766530分子式: C19H16N2O2S 分子量: 336.41IUPAC Name: 3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridineSMILES: COC1=CC(=C(C=C1)C2=CNC3=NC=CC(=C23)C4=CSC=C4)OCInChIKey: WEHOIIGXTMKVRG-UHFFFAOYSA-NInChI: InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)
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