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1VS
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NAMES
  • 1VS
SMILES
CCNC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCCc1c[nH]c2ccccc12
InChI
InChI=1S/C25H26N4O2S/c1-2-27-24(31)23-20(17-8-4-3-5-9-17)16-32-25(23)29-22(30)15-26-13-12-18-14-28-21-11-7-6-10-19(18)21/h3-11,14,16,26,28H,2,12-13,15H2,1H3,(H,27,31)(H,29,30)
MOLECULAR FORMULA
C25H26N4O2S
CROSS REFERENCES
  • UniChem: 76240627
  • canSAR: 1650220
  • PDBe (Protein Data Bank Europe): 1VS
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1VS

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 446.18
AlogP 4.42
HBond donors 4
HBond acceptors 6
Atoms 58
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 1VS.