Name: Py-MPB-amino-C3-PBD
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666642
Cas No:2412924-07-1
常用名:Py-MPB-amino-C3-PBD
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
InChI key:KZQHDCMQELKFIS-HKBQPEDESA-N

分子式:C41H44N8O6
分子量:744.853
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:4.315686
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

Py-MPB-amino-C3-PBD is a cytotoxic agent comprised non-alkylating group,with antimicrobial activity.

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