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1B7
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NAMES
  • 1B7
SMILES
CCCc1cscc1CC(NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O
InChI
InChI=1S/C21H25ClN2O2S/c1-4-5-13-11-27-12-15(13)9-18(20(25)26)23-19-17-7-6-16(22)8-14(17)10-21(2,3)24-19/h6-8,11-12,18H,4-5,9-10H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1
MOLECULAR FORMULA
C21H25ClN2O2S
CROSS REFERENCES
  • UniChem: 58593690
  • canSAR: 1148299
  • PDBe (Protein Data Bank Europe): 1B7
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1B7

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 404.13
AlogP 4.72
HBond donors 2
HBond acceptors 4
Atoms 52
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 1B7.