PDB CCD ID: | PVB | ||||||||||||
Number of entries in BioLiP: | 6 | ||||||||||||
Chemical formula: | C20 H25 Cl N6 O3 | ||||||||||||
InChI: | InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | ||||||||||||
InChIKey: | ZKDXRFMOHZVXSG-HNNXBMFYSA-N | ||||||||||||
SMILES: |
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Name: | PURVALANOL B; 2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID | ||||||||||||
ChEMBL: | CHEMBL23254 | ||||||||||||
DrugBank: | DB02733 | ||||||||||||
ZINC: | ZINC000000582590 |