HIT ID: HIT103379449
Cas No: 1335113-30-8
分子式: C34H43N3O5
分子量: 573.734
常用名: EBOV-IN-1
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 7.162
IUPAC: methyl 4-({2-[(4-{2-[2-(adamantan-1-yl)acetamido]acetyl}piperazin-1-yl)methyl]phenoxy}methyl)benzoate
IUPAC: methyl 4-({2-[(4-{2-[2-(adamantan-1-yl)acetamido]acetyl}piperazin-1-yl)methyl]phenoxy}methyl)benzoate
SMILES: COC(=O)c1ccc(COc2ccccc2CN2CCN(CC2)C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
SMILES: COC(=O)c1ccc(COc2ccccc2CN2CCN(CC2)C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChI key: KSISWIVDFITFKQ-UHFFFAOYSA-N
