化学生物学
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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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氟西汀CAS号 : 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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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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氟西汀CAS号 : 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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蓓萨罗丁中间体4CAS号 : 153559-46-7 Compound CID : 9810431分子式: C23H26O3 分子量: 350.45IUPAC Name: 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acidSMILES: CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)CInChIKey: QADGBOQVBUXZKO-UHFFFAOYSA-NInChI: InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
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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)