小分子和化合物库
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A 485,p300 / CBP抑制剂CAS号 : 1889279-16-6 Compound CID : 118958122分子式: C25H24F4N4O5 分子量: 536.48IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamideSMILES: CC(C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)C3(CCC4=C3C=CC(=C4)NC(=O)NC)OC2=OInChIKey: VRVJKILQRBSEAG-LFPIHBKWSA-NInChI: InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1
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C646CAS号 : 328968-36-1(DMSO)分子式: C24H19N3O6 分子量: 445.42SMILES: CC1=C(C)C=C(C(=C1)C2=CC=C(O2)\C=C/3C(=NN(C3=O)C4=CC=C(C=C4)C(O)=O)C)[N+]([O-])=O
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SGC-CBP30CAS号 : 1613695-14-9(DMSO)分子式: C28H33ClN4O3 分子量: 509.04SMILES: COC1=C(Cl)C=C(CCC2=NC3=CC(=CC=C3[N]2CC(C)N4CCOCC4)C5=C(C)ON=C5C)C=C1
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姜黄素CAS号 : 458-37-7(DMSO)分子式: C21H20O6 分子量: 368.38SMILES: COC1=CC(=CC=C1O)/C=C/C(O)=C/C(=O)/C=C/C2=CC(=C(O)C=C2)OC
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(-)-表没食子儿茶素没食子酸酯CAS号 : 989-51-5(DMSO)分子式: C22H18O11 分子量: 458.37SMILES: OC1=CC2=C(CC(OC(=O)C3=CC(=C(O)C(=C3)O)O)C(O2)C4=CC(=C(O)C(=C4)O)O)C(=C1)O
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CPI-637CAS号 : 1884712-47-3 Compound CID : 121271792分子式: C22H22N6O 分子量: 386.45IUPAC Name: (4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-oneSMILES: CC1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)CInChIKey: BFTKDWYIRJGJCA-CYBMUJFWSA-NInChI: InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
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GNE-781CAS号 : 1936422-33-1 Compound CID : 132275066分子式: C27H33F2N7O2 分子量: 525.59IUPAC Name: 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamideSMILES: CNC(=O)N1CCC2=C(C1)C(=NN2C3CCOCC3)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)CInChIKey: CQCWHSDMJBAGDC-UHFFFAOYSA-NInChI: InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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CPI-637CAS号 : 1884712-47-3 Compound CID : 121271792分子式: C22H22N6O 分子量: 386.45IUPAC Name: (4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-oneSMILES: CC1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)CInChIKey: BFTKDWYIRJGJCA-CYBMUJFWSA-NInChI: InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
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I-CBP 112CAS号 : 1640282-31-0 Compound CID : 90488984分子式: C27H36N2O5 分子量: 468.59IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-oneSMILES: CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCN(C3)C)C4=CC(=C(C=C4)OC)OCInChIKey: YKNAKDFZAWQEEO-IBGZPJMESA-NInChI: InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
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姜黄素分子式: C21H20O6 分子量: 368.38IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dioneSMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OInChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-NInChI: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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姜黄素分子式: C21H20O6 分子量: 368.38IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dioneSMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OInChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-NInChI: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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(-)-表没食子儿茶素没食子酸酯CAS号 : 989-51-5分子式: C22H18O11 分子量: 458.37IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-WIYYLYMNSA-NInChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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