Py-MPB-amino-C3-PBD
HIT212666642
sdf文件结构编辑类似物检索
HIT ID: HIT212666642
Cas No: 2412924-07-1
分子式: C41H44N8O6
分子量: 744.853
常用名: Py-MPB-amino-C3-PBD
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 4.315686
IUPAC: 4-{4-[4-(4-{[(11S)-5-methoxy-2-oxo-1,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-3(8),4,6-trien-6-yl]oxy}butanamido)-1-methyl-1H-pyrrole-2-amido]phenyl}-1-methyl-N-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
IUPAC: 4-{4-[4-(4-{[(11S)-5-methoxy-2-oxo-1,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-3(8),4,6-trien-6-yl]oxy}butanamido)-1-methyl-1H-pyrrole-2-amido]phenyl}-1-methyl-N-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
SMILES: [H][C@@]12CCCCN1C(=O)c1cc(OC)c(OCCCC(=O)Nc3cc(C(=O)Nc4ccc(cc4)-c4cc(C(=O)Nc5ccncc5)n(C)c4)n(C)c3)cc1NC2
SMILES: [H][C@@]12CCCCN1C(=O)c1cc(OC)c(OCCCC(=O)Nc3cc(C(=O)Nc4ccc(cc4)-c4cc(C(=O)Nc5ccncc5)n(C)c4)n(C)c3)cc1NC2
InChI key: KZQHDCMQELKFIS-HKBQPEDESA-N
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