GNE-555
HIT218848111
sdf文件结构编辑类似物检索
HIT ID: HIT218848111
Cas No: 1428902-71-9
分子式: C26H34N6O3
分子量: 478.597
常用名: GNE-555
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-ethyl-1-{4-[(1R,9S)-6-[(3S)-3-methylmorpholin-4-yl]-12-(oxetan-3-yl)-3,5,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-4-yl]phenyl}urea
IUPAC: 3-ethyl-1-{4-[(1R,9S)-6-[(3S)-3-methylmorpholin-4-yl]-12-(oxetan-3-yl)-3,5,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2,4,6-trien-4-yl]phenyl}urea
SMILES: [H][C@@]12CC[C@@]([H])(N1C1COC1)c1nc(nc(N3CCOC[C@@H]3C)c1C2)-c1ccc(NC(=O)NCC)cc1
SMILES: [H][C@@]12CC[C@@]([H])(N1C1COC1)c1nc(nc(N3CCOC[C@@H]3C)c1C2)-c1ccc(NC(=O)NCC)cc1
InChI key: NHJAMHLWORQRFH-XWFZLUIHSA-N
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