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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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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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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PH-797804CAS号 : 586379-66-0(DMSO)分子式: C22H19BrF2N2O3 分子量: 477.3SMILES: CNC(=O)C1=CC(=C(C)C=C1)N2C(=CC(=C(Br)C2=O)OCC3=CC=C(F)C=C3F)C
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SB202190 (FHPI)CAS号 : 152121-30-7(DMSO)分子式: C20H14N3OF 分子量: 331.34SMILES: OC1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=C4
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SB 203580(DMSO溶液)CAS号 : 152121-47-6(DMSO)分子式: C21H16FN3OS 分子量: 377.43SMILES: C[S](=O)C1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=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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TAK-715CAS号 : 303162-79-0(DMSO)分子式: C24H21N3OS 分子量: 399.51SMILES: CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C
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VX-702CAS号 : 745833-23-2(DMSO)分子式: C19H12F4N4O2 分子量: 404.3SMILES: NC(=O)N(C1=NC(=C(C=C1)C(N)=O)C2=C(F)C=C(F)C=C2)C3=C(F)C=CC=C3F
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