化学生物学
选项
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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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阿卡布替尼对映体CAS号 : 1952316-43-6 Compound CID : 121413436分子式: C26H23N7O2 分子量: 465.517IUPAC Name: 4-[8-amino-3-[(2R)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamideSMILES: CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5InChIKey: WDENQIQQYWYTPO-LJQANCHMSA-NInChI: InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m1/s1
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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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1-哌嗪-1-基-异喹啉CAS号 : 126653-00-7 Compound CID : 15887436分子式: C13H15N3 分子量: 213.3IUPAC Name: 1-piperazin-1-ylisoquinolineSMILES: C1CN(CCN1)C2=NC=CC3=CC=CC=C32InChIKey: IDFYLSABDUMICK-UHFFFAOYSA-NInChI: InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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SB 242084CAS号 : 181632-25-7 Compound CID : 16219981分子式: C21H19ClN4O2 分子量: 394.85IUPAC Name: 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochlorideSMILES: CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.ClInChIKey: GCMNSEILNIPNSX-UHFFFAOYSA-NInChI: InChI=1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
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4-哌嗪-1-基-呋喃并吡啶CAS号 : 81078-84-4 Compound CID : 2794808分子式: C11H13N3O 分子量: 203.24IUPAC Name: 4-piperazin-1-ylfuro[3,2-c]pyridineSMILES: C1CN(CCN1)C2=NC=CC3=C2C=CO3InChIKey: LUIZVTKJWSGSPA-UHFFFAOYSA-NInChI: InChI=1S/C11H13N3O/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2