HIT ID: HIT219159036
Cas No: 126632-01-7
分子式: C26H34IN7O2
分子量: 603.509
常用名: I-APT
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-amino-N-{2-[N'-cyano-N''-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)carbamimidamido]ethyl}-3-iodobenzamide
IUPAC: 4-amino-N-{2-[N'-cyano-N''-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)carbamimidamido]ethyl}-3-iodobenzamide
SMILES: Nc1ccc(cc1I)C(=O)NCCNC(NC#N)=NCCCOc1cccc(CN2CCCCC2)c1
SMILES: Nc1ccc(cc1I)C(=O)NCCNC(NC#N)=NCCCOc1cccc(CN2CCCCC2)c1
InChI key: VJTYCMQYDRXNNY-UHFFFAOYSA-N