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依克立达CAS号 : 143664-11-3 Compound CID : 119373分子式: C34H33N3O5 分子量: 563.64IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamideSMILES: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OCInChIKey: OSFCMRGOZNQUSW-UHFFFAOYSA-NInChI: InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
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乙酰化EGCGCAS号 : 148707-39-5 Compound CID : 11787645分子式: C38H34O19 分子量: 794.67IUPAC Name: [(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoateSMILES: CC(=O)OC1=CC2=C(CC(C(O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)CInChIKey: SVHJCTSSYQPWEV-VSJLXWSYSA-NInChI: InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
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Elacridar盐酸盐CAS号 : 143851-98-3 Compound CID : 170320分子式: C34H33N3O5·HCl 分子量: 600.1IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide;hydrochlorideSMILES: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC.ClInChIKey: IQOJZZHRYSSFJM-UHFFFAOYSA-NInChI: InChI=1S/C34H33N3O5.ClH/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37;/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38);1H
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CI 1020,ETA拮抗剂CAS号 : 162256-50-0 Compound CID : 9870830分子式: C28H26O9 分子量: 506.5IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-oneSMILES: COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OC)OC)OC)OInChIKey: PWIPORDFWDZCJG-UHFFFAOYSA-NInChI: InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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A 127722,ETA拮抗剂CAS号 : 195704-72-4 Compound CID : 159594分子式: C29H38N2O6 分子量: 510.62IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acidSMILES: CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-NInChI: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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（S）-普罗帕酮CAS号 : 107381-32-8 Compound CID : 184820分子式: C21H27NO3 分子量: 341.44IUPAC Name: 1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-oneSMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)OInChIKey: JWHAUXFOSRPERK-SFHVURJKSA-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/t18-/m0/s1
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CEP-33779CAS号 : 1257704-57-6(DMSO)分子式: C24H26N6O2S 分子量: 462.57SMILES: CN1CCN(CC1)C2=CC=CC(=C2)NC3=N[N]4C=CC=C(C5=CC=C(C=C5)[S](C)(=O)=O)C4=N3
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Doramapimod (BIRB 796)CAS号 : 285983-48-4(DMSO)分子式: C31H37N5O3 分子量: 527.66SMILES: CC1=CC=C(C=C1)[N]2N=C(C=C2NC(=O)NC3=CC=C(OCCN4CCOCC4)C5=C3C=CC=C5)C(C)(C)C
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Macitentan (ACT 064992)CAS号 : 441798-33-0(DMSO)分子式: C19H20Br2N6O4S 分子量: 588.27SMILES: CCCN[S](=O)(=O)NC1=NC=NC(=C1C2=CC=C(Br)C=C2)OCCOC3=NC=C(Br)C=N3
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Zibotentan (ZD4054)CAS号 : 186497-07-4(DMSO)分子式: C19H16N6O4S 分子量: 424.43SMILES: COC1=NC(=CN=C1N[S](=O)(=O)C2=CC=CN=C2C3=CC=C(C=C3)C4=NN=CO4)C
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他立喹达CAS号 : 206873-63-4(DMSO)分子式: C38H38N4O6 分子量: 646.73SMILES: COC1=CC2=C(CN(CCC3=CC=C(NC(=O)C4=C(NC(=O)C5=CC6=CC=CC=C6N=C5)C=C(OC)C(=C4)OC)C=C3)CC2)C=C1OC
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他莫西芬CAS号 : 10540-29-1(DMSO)分子式: C26H29NO 分子量: 371.51SMILES: CC/C(C1=CC=CC=C1)=C(C2=CC=CC=C2)/C3=CC=C(OCCN(C)C)C=C3.OC(=O)CC(O)(CC(O)=O)C(O)=O
