小分子
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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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MLN8054CAS号 : 869363-13-3(DMSO)分子式: C25H15ClF2N4O2 分子量: 476.86SMILES: OC(=O)C1=CC=C(NC2=NC3=C(CN=C(C4=CC(=CC=C34)Cl)C5=C(F)C=CC=C5F)C=N2)C=C1
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
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氟哌啶醇CAS号 : 52-86-8(DMSO)分子式: C21H23ClFNO2 分子量: 375.86SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C3=CC=C(Cl)C=C3
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氯普噻吨CAS号 : 113-59-7(DMSO)分子式: C18H18ClNS 分子量: 315.86SMILES: CN(C)CC/C=C1/C2=CC=CC=C2SC3=C1C=C(Cl)C=C3
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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AST-487 (NVP-AST487)CAS号 : 630124-46-8分子式: C26H30F3N7O2 分子量: 529.56IUPAC Name: 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]ureaSMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)FInChIKey: ODPGGGTTYSGTGO-UHFFFAOYSA-NInChI: InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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卡麦角林CAS号 : 81409-90-7分子式: C26H37N5O2 分子量: 451.6IUPAC Name: (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamideSMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=CInChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-NInChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
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ETC-206 (AUM 001)CAS号 : 1464151-33-4分子式: C25H20N4O2 分子量: 408.45IUPAC Name: 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrileSMILES: C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3InChIKey: FWRFPHJSGLYXTD-UHFFFAOYSA-NInChI: InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
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凯他色林CAS号 : 74050-98-9分子式: C22H22FN3O3 分子量: 395.43IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dioneSMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=OInChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-NInChI: InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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托米沃司替布(eFT-508)CAS号 : 1849590-01-7 Compound CID : 118598754分子式: C17H20N6O2 分子量: 340.38IUPAC Name: 6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dioneSMILES: CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3InChIKey: HKTBYUWLRDZAJK-UHFFFAOYSA-NInChI: InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)