E1/E2/E3酶
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NSC232003CAS号: 1905453-18-0分子式: C6H7N3O3 分子量: 169.14IUPAC Name: 5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-pyrimidine-2,4-dioneSMILES: CC(=NO)C1=CNC(=O)NC1=OInChIKey: UDHCVAJUUVCYHW-YCRREMRBSA-NInChI: 1S/C6H7N3O3/c1-3(9-12)4-2-7-6(11)8-5(4)10/h2,12H,1H3,(H2,7,8,10,11)/b9-3+
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阿瓦多米德(CC-122)CAS号: 1015474-32-4分子式: C14H14N4O3 分子量: 286.29IUPAC Name: 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dioneSMILES: CC1=NC2=CC=CC(=C2C(=O)N1C3CCC(=O)NC3=O)NInChIKey: RSNPAKAFCAAMBH-UHFFFAOYSA-NInChI: 1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
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BC1618CAS号: 2222094-18-8分子式: C24H24F3NO2 分子量: 415.45IUPAC Name: 1-(dibenzylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-olSMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(F)(F)F)OInChIKey: LGTYABNNHILKHF-UHFFFAOYSA-NInChI: 1S/C24H24F3NO2/c25-24(26,27)21-11-13-23(14-12-21)30-18-22(29)17-28(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,22,29H,15-18H2
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BH3I-1CAS号: 300817-68-9分子式: C15H14BrNO3S2 分子量: 400.3IUPAC Name: 2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acidSMILES: CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)Br)SC1=SInChIKey: COHIEJLWRGREHV-YRNVUSSQSA-NInChI: 1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7+
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CC-92480CAS号: 2259648-80-9分子式: C32H30FN5O4 分子量: 567.61IUPAC Name: 4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrileSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)FInChIKey: YTINZZFBHWSAGL-NDEPHWFRSA-NInChI: 1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1
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2-D08CAS号: 144707-18-6分子式: C15H10O5 分子量: 270.24IUPAC Name: 2-(2,3,4-trihydroxyphenyl)chromen-4-oneSMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=C(C(=C(C=C3)O)O)OInChIKey: JJAXTFSPCLZPIW-UHFFFAOYSA-NInChI: 1S/C15H10O5/c16-10-6-5-9(14(18)15(10)19)13-7-11(17)8-3-1-2-4-12(8)20-13/h1-7,16,18-19H
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DKM 2-93CAS号: 65836-72-8分子式: C11H14ClNO3 分子量: 243.69IUPAC Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamideSMILES: COC1=C(C=C(C=C1)CNC(=O)CCl)OCInChIKey: CETPWRGZGWGPSV-UHFFFAOYSA-NInChI: 1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
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MX69CAS号: 1005264-47-0分子式: C27H26N2O4S 分子量: 474.57IUPAC Name: 4-[8-[(3,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acidSMILES: CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O)CInChIKey: XCBONKHCCRJMNW-UHFFFAOYSA-NInChI: 1S/C27H26N2O4S/c1-16-6-11-20(14-17(16)2)29-34(32,33)21-12-13-25-24(15-21)22-4-3-5-23(22)26(28-25)18-7-9-19(10-8-18)27(30)31/h3-4,6-15,22-23,26,28-29H,5H2,1-2H3,(H,30,31)
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MI-773 (SAR405838)CAS号: 1303607-60-4分子式: C29H34Cl2FN3O3 分子量: 562.5IUPAC Name: (2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamideSMILES: CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=OInChIKey: IDKAKZRYYDCJDU-AEPXTFJPSA-NInChI: See more
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NVP-CGM097CAS号: 1313363-54-0分子式: C38H47ClN4O4 分子量: 659.26IUPAC Name: (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-oneSMILES: CC(C)OC1=C(C=C2CC(=O)N(C(C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OCInChIKey: CLRSLRWKONPSRQ-CPOWQTMSSA-NInChI: See more
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NAcM-OPTCAS号: 2089293-61-6分子式: C23H29Cl2N3O 分子量: 434.4IUPAC Name: 1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3,4-dichlorophenyl)ureaSMILES: CCCCN1CCC(CC1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)ClInChIKey: VPHJABWIKCBGMC-UHFFFAOYSA-NInChI: 1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
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NSC697923CAS号: 343351-67-7分子式: C11H9NO5S 分子量: 267.26IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-nitrofuranSMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)[N+](=O)[O-]InChIKey: GAUHIPWCDXOLCZ-UHFFFAOYSA-NInChI: 1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
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