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5VE
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NAMES
  • 5VE
SMILES
CNCc1ccc2c(c1)C(NC(=O)C(=O)Nc1ccc(Cl)c(F)c1)C(CNC(=N)N)C2
InChI
InChI=1S/C21H24ClFN6O2/c1-26-9-11-2-3-12-7-13(10-27-21(24)25)18(15(12)6-11)29-20(31)19(30)28-14-4-5-16(22)17(23)8-14/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27)/t13-,18-/m1/s1
MOLECULAR FORMULA
C21H24ClFN6O2
CROSS REFERENCES
  • UniChem: 144652908
  • canSAR: 1826498
  • PDBe (Protein Data Bank Europe): 5VE
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5VE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 446.16
AlogP 1.65
HBond donors 7
HBond acceptors 8
Atoms 55
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 5VE.