小分子和化合物库
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双氢麦角胺甲磺酸盐分子式: C33H37N5O5·CH4O3S 分子量: 679.79IUPAC Name: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acidSMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)OInChIKey: ADYPXRFPBQGGAH-UMYZUSPBSA-NInChI: InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1
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EMD 386088CAS号 : 54635-62-0 Compound CID : 10131112分子式: C14H15ClN2 分子量: 246.74IUPAC Name: 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleSMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3InChIKey: BPPGPYJBCVXILI-UHFFFAOYSA-NInChI: InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
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AUDACAS号 : 479413-70-2 Compound CID : 10069117分子式: C23H40N2O3 分子量: 392.58IUPAC Name: 12-(1-adamantylcarbamoylamino)dodecanoic acidSMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)OInChIKey: XLGSEOAVLVTJDH-UHFFFAOYSA-NInChI: InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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ST1936分子式: C13H17ClN2 分子量: 236.74IUPAC Name: 2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamineSMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)CInChIKey: KSYMELKKLOFABL-UHFFFAOYSA-NInChI: InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3
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BRL-15572 DihydrochlorideCAS号 : 193611-72-2(DMSO)分子式: C25H27ClN2O·2HCl 分子量: 479.87SMILES: Cl.Cl.OC(CN1CCN(CC1)C2=CC(=CC=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4
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SB742457CAS号 : 607742-69-8(DMSO)分子式: C19H19N3O2S 分子量: 353.44SMILES: O=[S](=O)(C1=CC=CC=C1)C2=CC3=C(N=C2)C(=CC=C3)N4CCNCC4
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Zileuton (A-64077)CAS号 : 111406-87-2(DMSO)分子式: C11H12N2O2S 分子量: 236.29SMILES: CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1
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伊潘立酮CAS号 : 133454-47-4(DMSO)分子式: C24H27FN2O4 分子量: 426.48SMILES: COC1=C(OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C=CC(=C1)C(C)=O
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
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奥氮平CAS号 : 132539-06-1(DMSO)分子式: C17H20N4S 分子量: 312.43975SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=C(C)S4)C=CC=C3
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扎鲁斯特CAS号 : 107753-78-6(DMSO)分子式: C31H33N3O6S 分子量: 575.68SMILES: COC1=CC(=CC=C1CC2=C[N](C)C3=C2C=C(NC(=O)OC4CCCC4)C=C3)C(=O)N[S](=O)(=O)C5=CC=CC=C5C
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