小分子和化合物库
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流感病毒血凝素 (HA) 肽CAS号: 92000-76-5 Compound CID : 10235423分子式: C53H67N9O17 分子量: 1102.15IUPAC Name: See moreSMILES: CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)NInChIKey: HVLSXIKZNLPZJJ-TXZCQADKSA-NInChI: See more
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药根碱CAS号: 3621-38-3分子式: C20H21NO5 分子量: 355.38IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-olSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OCInChIKey: MXTLAHSTUOXGQF-UHFFFAOYSA-OInChI: 1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
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鲑鱼促性腺激素释放激素CAS号: 86073-88-3 Compound CID : 16130967分子式: C60H73N15O13 分子量: 1212.31IUPAC Name: See moreSMILES: CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8InChIKey: NMJREATYWWNIKX-XJIZABAQSA-NInChI: See more
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氯地孕酮醋酸盐CAS号: 302-22-7分子式: C23H29ClO4 分子量: 404.93IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetateSMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)CInChIKey: QMBJSIBWORFWQT-DFXBJWIESA-NInChI: 1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
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(1E,4E)-1,5-双[3,5-双(甲氧基甲氧基)苯基]-1,4-戊二烯-3-酮CAS号: 917813-62-8分子式: C25H30O9 分子量: 474.51IUPAC Name: (1E,4E)-1,5-bis[3,5-bis(methoxymethoxy)phenyl]penta-1,4-dien-3-oneSMILES: COCOC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OCOC)OCOC)OCOCInChIKey: WZNSZBNRYKYIQK-KQQUZDAGSA-NInChI: 1S/C25H30O9/c1-27-15-31-22-9-19(10-23(13-22)32-16-28-2)5-7-21(26)8-6-20-11-24(33-17-29-3)14-25(12-20)34-18-30-4/h5-14H,15-18H2,1-4H3/b7-5+,8-6+
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5-羟基癸酸钠CAS号: 71186-53-3分子式: C10H19NaO3 分子量: 210.25IUPAC Name: sodium;5-hydroxydecanoateSMILES: CCCCCC(CCCC(=O)[O-])O.[Na+]InChIKey: YNAGNECWEKMWRM-UHFFFAOYSA-MInChI: 1S/C10H20O3.Na/c1-2-3-4-6-9(11)7-5-8-10(12)13;/h9,11H,2-8H2,1H3,(H,12,13);/q;+1/p-1
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WAY 267464 二盐酸盐CAS号: 1432043-31-6 Compound CID : 136271320分子式: C32H35N7O4•2HCl 分子量: 654.59IUPAC Name: 4-[(3,5-dihydroxyphenyl)methyl]-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide;dihydrochlorideSMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O.Cl.ClInChIKey: OTFWXMFLPMUDFP-UHFFFAOYSA-NInChI: See more
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VU 590 二盐酸盐CAS号: 1783987-83-6 Compound CID : 71433535分子式: C24H32N4O7.2HCl 分子量: 561.46IUPAC Name: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;dihydrochlorideSMILES: C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.ClInChIKey: FRYYSUBAHIUBNJ-UHFFFAOYSA-NInChI: 1S/C24H32N4O7.2ClH/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32;;/h1-8H,9-20H2;2*1H
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VTP 27999 三氟乙酸盐CAS号: 1013937-63-7 Compound CID : 121513870分子式: C26H41ClN4O5.CF3CO2H 分子量: 639.1IUPAC Name: methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acidSMILES: CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC.C(=O)(C(F)(F)F)OInChIKey: SYWYSVAEGXHOJO-VIEYARBJSA-NInChI: See more
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