小分子
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BI-D1870CAS号 : 501437-28-1(DMSO)分子式: C19H23F2N5O2 分子量: 391.42SMILES: CC(C)CCN1C(C)C(=O)N(C)C2=C1N=C(NC3=CC(=C(O)C(=C3)F)F)N=C2
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BetaxololCAS号 : 63659-18-7(DMSO)分子式: C18H29NO3 分子量: 307.43SMILES: CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
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GSK1838705ACAS号 : 1116235-97-2(DMSO)分子式: C27H29FN8O3 分子量: 532.57SMILES: CNC(=O)C1=C(F)C=CC=C1NC2=C3C=C[NH]C3=NC(=N2)NC4=C(OC)C=C5CCN(C(=O)CN(C)C)C5=C4
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GSK429286ACAS号 : 864082-47-3(DMSO)分子式: C21H16F4N4O2 分子量: 432.37SMILES: CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=C(F)C=C4[NH]N=CC4=C3
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MirabegronCAS号 : 223673-61-8(DMSO)分子式: C21H24N4O2S 分子量: 396.51SMILES: NC1=NC(=CS1)CC(=O)NC2=CC=C(CCNCC(O)C3=CC=CC=C3)C=C2
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贝特芬太罗CAS号 : 743461-65-6分子式: C40H42ClN5O7 分子量: 740.24IUPAC Name: [1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamateSMILES: COC1=CC(=C(C=C1CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6InChIKey: URWYQGVSPQJGGB-DHUJRADRSA-NInChI: InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1
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非诺特罗CAS号 : 13392-18-2分子式: C17H21NO4 分子量: 303.35IUPAC Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diolSMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)OInChIKey: LSLYOANBFKQKPT-UHFFFAOYSA-NInChI: InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
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LJH685CAS号 : 1627710-50-2分子式: C22H21F2N3O 分子量: 381.42IUPAC Name: 2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenolSMILES: CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)FInChIKey: IKUFKDGKRLMXEX-UHFFFAOYSA-NInChI: InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
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吲哚洛尔CAS号 : 13523-86-9 Compound CID : 4828分子式: C14H20N2O2 分子量: 248.32IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-olSMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)OInChIKey: JZQKKSLKJUAGIC-UHFFFAOYSA-NInChI: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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普罗帕酮CAS号 : 54063-53-5 Compound CID : 4932分子式: C21H27NO3 分子量: 341.44IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-oneSMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)OInChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-NInChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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沙丁胺醇CAS号 : 18559-94-9 Compound CID : 2083分子式: C13H21NO3 分子量: 239.31IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenolSMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)OInChIKey: NDAUXUAQIAJITI-UHFFFAOYSA-NInChI: InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3