Mal-Toxophore
HIT218929735
sdf文件结构编辑类似物检索
HIT ID: HIT218929735
Cas No: 2592504-91-9
分子式: C30H33N7O5
分子量: 571.638
常用名: Mal-Toxophore
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[4-(1-{5-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]pentyl}-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxamide
IUPAC: N-[4-(1-{5-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]pentyl}-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl]-1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxamide
SMILES: CC1CC(=O)N(CCCCCNC(=O)CN2C(=O)C=CC2=O)N=C1c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
SMILES: CC1CC(=O)N(CCCCCNC(=O)CN2C(=O)C=CC2=O)N=C1c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
InChI key: YVYJADQZQBYYED-UHFFFAOYSA-N
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