HIT ID: HIT218909681
Cas No: 3024006-29-6
分子式: C31H37N3O4
分子量: 515.654
常用名: PD-1/PD-L1-IN-53
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-(3-{3-[2-(3-{[(2-hydroxyethyl)amino]methyl}phenyl)-1,3-benzoxazol-6-yl]-2-methylphenoxy}propyl)piperidin-4-ol
IUPAC: 1-(3-{3-[2-(3-{[(2-hydroxyethyl)amino]methyl}phenyl)-1,3-benzoxazol-6-yl]-2-methylphenoxy}propyl)piperidin-4-ol
SMILES: Cc1c(OCCCN2CCC(O)CC2)cccc1-c1ccc2nc(oc2c1)-c1cccc(CNCCO)c1
SMILES: Cc1c(OCCCN2CCC(O)CC2)cccc1-c1ccc2nc(oc2c1)-c1cccc(CNCCO)c1
InChI key: VRPQROLOUHJVID-UHFFFAOYSA-N
