化学生物学
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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2-甲基吡唑并[1,5-a]喹唑啉-5(4h)-酮CAS号 : 25468-50-2 Compound CID : 135512367分子式: C11H9N3O 分子量: 199.2IUPAC Name: 2-methyl-4H-pyrazolo[1,5-a]quinazolin-5-oneSMILES: CC1=NN2C3=CC=CC=C3C(=O)NC2=C1InChIKey: RFGCWJZOFBNOEK-UHFFFAOYSA-NInChI: InChI=1S/C11H9N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h2-6H,1H3,(H,12,15)
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AZD-5153CAS号 : 1869912-39-9 Compound CID : 118693659分子式: C25H33N7O3 分子量: 479.585IUPAC Name: (3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-oneSMILES: CC1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)CInChIKey: RSMYFSPOTCDHHJ-GOSISDBHSA-NInChI: InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1
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5-氨基-1(2H)-异喹啉酮CAS号 : 93117-08-9 Compound CID : 2072分子式: C9H8N2O 分子量: 160.2IUPAC Name: 5-amino-2H-isoquinolin-1-oneSMILES: C1=CC2=C(C=CNC2=O)C(=C1)NInChIKey: SVASVGVAQIVSEZ-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
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(+/-)-JQ1,Brd4 抑制剂CAS号 : 1268524-69-1 Compound CID : 49871817分子式: C23H25ClN4O2S 分子量: 457IUPAC Name: tert-butyl 2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetateSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)CInChIKey: DNVXATUJJDPFDM-UHFFFAOYSA-NInChI: InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3
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2-甲基吡唑并[1,5-a]喹唑啉-5(4H)-酮CAS号 : 25468-50-2 Compound CID : 135512367分子式: C11H9N3O 分子量: 199.2IUPAC Name: 2-methyl-4H-pyrazolo[1,5-a]quinazolin-5-oneSMILES: CC1=NN2C3=CC=CC=C3C(=O)NC2=C1InChIKey: RFGCWJZOFBNOEK-UHFFFAOYSA-NInChI: InChI=1S/C11H9N3O/c1-7-6-10-12-11(15)8-4-2-3-5-9(8)14(10)13-7/h2-6H,1H3,(H,12,15)
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5-甲基-3,4-二氢异喹啉-1-酮CAS号 : 129075-56-5 Compound CID : 148140分子式: C10H11NO 分子量: 161.2IUPAC Name: 5-methyl-3,4-dihydro-2H-isoquinolin-1-oneSMILES: CC1=C2CCNC(=O)C2=CC=C1InChIKey: RLLZPXDJYADIEU-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)