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NSC-130813
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NAMES
  • NSC-130813
SMILES
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1
InChI
InChI=1S/C26H27ClN4O2/c1-30-9-11-31(12-10-30)16-17-13-19(4-8-25(17)32)28-26-21-6-3-18(27)14-24(21)29-23-7-5-20(33-2)15-22(23)26/h3-8,13-15,32H,9-12,16H2,1-2H3,(H,28,29)
MOLECULAR FORMULA
C26H27ClN4O2
CROSS REFERENCES
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NSC-130813

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 462.18
AlogP 5.25
HBond donors 2
HBond acceptors 6
Atoms 60
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by NSC-130813.