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1BE
FEATURES
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NAMES
  • 1BE
SMILES
CCCc1scc(-c2cn[nH]c2)c1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O
InChI
InChI=1S/C24H27ClN4O2S/c1-4-5-21-18(19(13-32-21)15-11-26-27-12-15)9-20(23(30)31)28-22-17-7-6-16(25)8-14(17)10-24(2,3)29-22/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t20-/m0/s1
MOLECULAR FORMULA
C24H27ClN4O2S
CROSS REFERENCES
  • UniChem: 31961702
  • canSAR: 1055592
  • PDBe (Protein Data Bank Europe): 1BE
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1BE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 470.15
AlogP 5.11
HBond donors 3
HBond acceptors 6
Atoms 59
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 1BE.