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0P5
FEATURES
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NAMES
  • 0P5
SMILES
COc1ccc(Oc2cc(NCc3nc4ccccc4[nH]3)nc(N3CCNC(=O)C3)n2)c(Cl)c1
InChI
InChI=1S/C23H22ClN7O3/c1-33-14-6-7-18(15(24)10-14)34-22-11-19(29-23(30-22)31-9-8-25-21(32)13-31)26-12-20-27-16-4-2-3-5-17(16)28-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,25,32)(H,27,28)(H,26,29,30)
MOLECULAR FORMULA
C23H22ClN7O3
CROSS REFERENCES
  • UniChem: 27265603
  • canSAR: 1017258
  • PDBe (Protein Data Bank Europe): 0P5
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0P5

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 479.15
AlogP 3.36
HBond donors 3
HBond acceptors 10
Atoms 56
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 0P5.