HIT ID: HIT218832978

Cas No:

分子式: C37H41ClN4O7S

分子量: 721.27

常用名: 2-[({5-chloro-2-[(5-cyanopyridin-3-yl)methoxy]-4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}phenyl}methyl)[3-(dimethylamino)propyl]amino]ethanesulfonic acid, PD1-PDL1-IN 2

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-[({5-chloro-2-[(5-cyanopyridin-3-yl)methoxy]-4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}phenyl}methyl)[3-(dimethylamino)propyl]amino]ethane-1-sulfonic acid

SMILES: CN(C)CCCN(CCS(O)(=O)=O)Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cncc(c1)C#N

InChI key: QJSJWFVBDAPNAE-UHFFFAOYSA-N