小分子
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Darovasertib (LXS-196)CAS号 : 1874276-76-2(DMSO)分子式: C22H23F3N8O 分子量: 472.47SMILES: CC1(N)CCN(CC1)C2=CC=CN=C2NC(=O)C3=NC(=CN=C3N)C4=NC=CC=C4C(F)(F)F
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PrucaloprideCAS号 : 179474-81-8(DMSO)分子式: C18H26ClN3O3 分子量: 367.87SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(N)C3=C2OCC3)Cl
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Sotrastaurin (AEB071)CAS号 : 425637-18-9(DMSO)分子式: C25H22N6O2 分子量: 438.48SMILES: CN1CCN(CC1)C2=NC(=C3C=CC=CC3=N2)C4=C(C(=O)NC4=O)C5=C[NH]C6=C5C=CC=C6
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Go 6976CAS号 : 136194-77-9分子式: C24H18N4O 分子量: 378.43IUPAC Name: 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrileSMILES: CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=OInChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-NInChI: InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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甲氧氯普胺CAS号 : 364-62-5分子式: C14H22ClN3O2 分子量: 299.8IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamideSMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)ClInChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-NInChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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PF-04995274CAS号 : 1331782-27-4 Compound CID : 53354764分子式: C23H32N2O6 分子量: 432.51IUPAC Name: 4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-olSMILES: C1CN(CCC1COC2=NOC3=C2C(=CC=C3)OC4CCOC4)CC5(CCOCC5)OInChIKey: WLLOFQROROXOMO-GOSISDBHSA-NInChI: InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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VilazodoneCAS号 : 163521-12-8 Compound CID : 6918314分子式: C26H27N5O2 分子量: 441.52IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamideSMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)NInChIKey: SGEGOXDYSFKCPT-UHFFFAOYSA-NInChI: InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)