小分子和化合物库
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卡维地洛CAS号 : 72956-09-3 Compound CID : 2585分子式: C24H26N2O4 分子量: 406.47IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-olSMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)OInChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-NInChI: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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A 61603 氢溴酸盐CAS号 : 107756-30-9 Compound CID : 9865178分子式: C14H20BrN3O3S 分子量: 389.31IUPAC Name: N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide;hydrobromideSMILES: CS(=O)(=O)NC1=C(C=CC2=C1CCCC2C3=NCCN3)O.BrInChIKey: LRFLWCZMTGTUEP-UHFFFAOYSA-NInChI: InChI=1S/C14H19N3O3S.BrH/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18;/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16);1H
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TC AC 28,BET溴结构域配体CAS号 : 1809296-92-1 Compound CID : 118121364分子式: C23H21N5O3 分子量: 415.44IUPAC Name: methyl 2-[6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetateSMILES: CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2CC(=O)OC)C4=C5C=CNC5=CC=C4InChIKey: RARZHTSXOQRRPR-UHFFFAOYSA-NInChI: InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
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RX 821002 盐酸盐CAS号 : 109544-45-8 Compound CID : 11957683分子式: C12H15ClN2O3 分子量: 270.72IUPAC Name: 2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochlorideSMILES: COC1(COC2=CC=CC=C2O1)C3=NCCN3.ClInChIKey: IMPOOMVZVWKSAP-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O3.ClH/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12;/h2-5H,6-8H2,1H3,(H,13,14);1H
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N-去甲基洛哌丁胺CAS号 : 66164-07-6 Compound CID : 9805944分子式: C28H31ClN2O2 分子量: 463.01IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamideSMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-NInChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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鲁拉西酮CAS号 : 367514-87-2 Compound CID : 213046分子式: C28H36N4O2S 分子量: 492.68IUPAC Name: (1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dioneSMILES: C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=OInChIKey: PQXKDMSYBGKCJA-CVTJIBDQSA-NInChI: InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
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(+)-JQ1CAS号 : 1268524-70-4(DMSO)分子式: C23H25ClN4O2S 分子量: 456.99SMILES: CC1=C(C)C2=C(S1)[N]3C(=NN=C3C(CC(=O)OC(C)(C)C)N=C2C4=CC=C(Cl)C=C4)C
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ABBV-744CAS号 : 2138861-99-9(DMSO)分子式: C28H30FN3O4 分子量: 491.55SMILES: CCNC(=O)C1=CC2=C([NH]1)C(=O)N(C)C=C2C3=C(OC4=C(C)C=C(F)C=C4C)C=CC(=C3)C(C)(C)O
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DexmedetomidineCAS号 : 113775-47-6(DMSO)分子式: C13H16N2 分子量: 200.28SMILES: CC(C1=CN=C[NH]1)C2=CC=CC(=C2C)C
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I-BET151 (GSK1210151A)CAS号 : 1300031-49-5(DMSO)分子式: C23H21N5O3 分子量: 415.44SMILES: COC1=C(C=C2N=CC3=C(N(C(C)C4=CC=CC=N4)C(=O)N3)C2=C1)C5=C(C)ON=C5C
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Molibresib (I-BET-762)CAS号 : 1260907-17-2(DMSO)分子式: C22H22ClN5O2 分子量: 423.9SMILES: CCNC(=O)CC1N=C(C2=CC=C(Cl)C=C2)C3=CC(=CC=C3[N]4C(=NN=C14)C)OC
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