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593
FEATURES
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NAMES
  • 593
SMILES
CN1C(=O)C(c2ccccc2)(C23CC4CC(CC(C4)C2)C3)N=C1N
InChI
InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22)/t13-,14+,15-,19-,20-/m0/s1
MOLECULAR FORMULA
C20H25N3O
CROSS REFERENCES
  • UniChem: 1077857
  • canSAR: 750301
  • PDBe (Protein Data Bank Europe): 593
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593

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 323.20
AlogP 2.88
HBond donors 2
HBond acceptors 4
Atoms 49
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 593.