Name: PD1-PDL1-IN 1
Rating: 5 (10 reviews)

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HIT ID:HIT212666437
Cas No:2005454-12-4
常用名:PD1-PDL1-IN 1
IUPAC:(2S,3R)-2-({[(1S)-2-carbamoyl-1-[3-(piperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl}amino)-3-hydroxybutanoic acid
IUPAC:(2S,3R)-2-({[(1S)-2-carbamoyl-1-[3-(piperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl}amino)-3-hydroxybutanoic acid
InChI key:RKAIKBRLPZSBRN-WEDXCCLWSA-N

分子式:C14H23N7O6
分子量:385.381
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:-5.1260552
SMILES:C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)N1CCNCC1)C(O)=O
SMILES:C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)N1CCNCC1)C(O)=O

PD1-PDL1-IN 1 is a potent inhibitor of programmed cell death 1 (PD-1),and used as immune modulator.

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