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MK-571 钠盐CAS号: 115103-85-0分子式: C26H26ClN2O3S2·Na 分子量: 537.07IUPAC Name: sodium;3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoateSMILES: CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)[O-].[Na+]InChIKey: XNAYQOBPAXEYLI-AAGWESIMSA-MInChI: 1S/C26H27ClN2O3S2.Na/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22;/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/b10-6+;
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利培酮-d4CAS号: 1020719-76-9分子式: C23H23D4FN4O2 分子量: 414.51IUPAC Name: 2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-RIEWMPPISA-NInChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3/i9D2,13D2
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盐酸维拉帕米d7CAS号: 1188265-55-5 Compound CID : 45359132分子式: C27H31D7N2O4・HCl 分子量: 498.11IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pentanenitrile;hydrochlorideSMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.ClInChIKey: DOQPXTMNIUCOSY-OMVHPOPLSA-NInChI: 1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H/i1D3,2D3,20D;
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阿扎那韦-d5CAS号: 1132747-14-8分子式: C38H47D5N6O7 分子量: 709.89IUPAC Name: See more
SMILES: CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OCInChIKey: AXRYRYVKAWYZBR-CPSMPXDPSA-NInChI: See more -
扎米卡斯特CAS号: 1080028-80-3 Compound CID : 25052630分子式: C21H21F2N3OS 分子量: 401.5IUPAC Name: 4-[2-(benzylamino)ethyl]-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thioneSMILES: C1C(COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCNCC4=CC=CC=C4InChIKey: ZSSLCFLHEFXANG-GOSISDBHSA-NInChI: 1S/C21H21F2N3OS/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28)/t18-/m1/s1
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异橙黄酮CAS号: 17290-70-9分子式: C20H20O7 分子量: 372.37IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OCInChIKey: UYCWETIUOAGWIL-UHFFFAOYSA-NInChI: 1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3
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Encequidar (HM30181)CAS号: 849675-66-7分子式: C38H36N6O7 分子量: 688.73IUPAC Name: N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamideSMILES: COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OCInChIKey: AHJUHHDDCJQACA-UHFFFAOYSA-NInChI: See more
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三氟拉嗪分子式: C21H24N3F3S 分子量: 407.49IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazineSMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)FInChIKey: ZEWQUBUPAILYHI-UHFFFAOYSA-NInChI: 1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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吴茱萸内酯CAS号: 6989-38-4分子式: C18H19NO5 分子量: 329.35IUPAC Name: 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-olSMILES: CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)OInChIKey: LNJTUUHDKCPQAA-UHFFFAOYSA-NInChI: 1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
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芥子碱CAS号: 18696-26-9 Compound CID : 5280385分子式: C16H24N1O5 分子量: 310.37IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazaniumSMILES: C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OCInChIKey: HUJXHFRXWWGYQH-UHFFFAOYSA-OInChI: 1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
