HIT ID: HIT219251102
Cas No: 1613265-52-3
分子式: C42H58N6O6
分子量: 742.962
常用名: SR 142948-C3-NHMe
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[5-(2,6-dimethoxyphenyl)-1-{4-[methyl(3-{methyl[3-(methylamino)propyl]amino}propyl)carbamoyl]-2-(propan-2-yl)phenyl}-1H-pyrazole-3-amido]adamantane-2-carboxylic acid
IUPAC: 2-[5-(2,6-dimethoxyphenyl)-1-{4-[methyl(3-{methyl[3-(methylamino)propyl]amino}propyl)carbamoyl]-2-(propan-2-yl)phenyl}-1H-pyrazole-3-amido]adamantane-2-carboxylic acid
SMILES: CNCCCN(C)CCCN(C)C(=O)c1ccc(c(c1)C(C)C)-n1nc(cc1-c1c(OC)cccc1OC)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
SMILES: CNCCCN(C)CCCN(C)C(=O)c1ccc(c(c1)C(C)C)-n1nc(cc1-c1c(OC)cccc1OC)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
InChI key: XCNXBNYVKOMSPE-UHFFFAOYSA-N
