Name: KRAS G12C inhibitor 68
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887471
Cas No:3034851-27-6
常用名:KRAS G12C inhibitor 68
IUPAC:1-{4-[(4R,5S)-10-(difluoromethyl)-12-[(2R,4S)-4-[2-(3-methoxyoxetan-3-yl)-4-methylpyridin-3-yl]-2-methylpiperidin-1-yl]-2,11-diazatricyclo[7.4.0.0^{2,5}]trideca-1(13),7,9,11-tetraen-4-yl]piperazin-1-yl}prop-2-en-1-one
IUPAC:1-{4-[(4R,5S)-10-(difluoromethyl)-12-[(2R,4S)-4-[2-(3-methoxyoxetan-3-yl)-4-methylpyridin-3-yl]-2-methylpiperidin-1-yl]-2,11-diazatricyclo[7.4.0.0^{2,5}]trideca-1(13),7,9,11-tetraen-4-yl]piperazin-1-yl}prop-2-en-1-one
InChI key:FMBHZLHLHLRGAZ-LARAJFFGSA-N

分子式:C35H44F2N6O3
分子量:634.773
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC=Cc3c(nc(cc3N1C[C@H]2N1CCN(CC1)C(=O)C=C)N1CC[C@@H](C[C@H]1C)c1c(C)ccnc1C1(COC1)OC)C(F)F
SMILES:[H][C@@]12CC=Cc3c(nc(cc3N1C[C@H]2N1CCN(CC1)C(=O)C=C)N1CC[C@@H](C[C@H]1C)c1c(C)ccnc1C1(COC1)OC)C(F)F

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