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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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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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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拉贝洛尔CAS号 : 36894-69-6 Compound CID : 3869分子式: C19H24N2O3 分子量: 328.41IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamideSMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)OInChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-NInChI: InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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2-甲基-4-哌嗪基喹啉CAS号 : 82241-22-3 Compound CID : 702318分子式: C14H17N3 分子量: 227.3IUPAC Name: 2-methyl-4-piperazin-1-ylquinolineSMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCNCC3InChIKey: XYBLCORUTWKJOI-UHFFFAOYSA-NInChI: InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11/h2-5,10,15H,6-9H2,1H3
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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)