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W2C
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NAMES
  • W2C
SMILES
N#Cc1ccc(-c2ccc(CC(C=N)NC(=O)C3CC(O)CCN3)cc2)cc1
InChI
InChI=1S/C22H24N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,14,19-21,24-25,27H,9-12H2,(H,26,28)/b24-14+/t19-,20-,21-/m0/s1
MOLECULAR FORMULA
C22H24N4O2
CROSS REFERENCES
  • UniChem: 82237651
  • canSAR: 1148855
  • PDBe (Protein Data Bank Europe): W2C
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W2C

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 376.19
AlogP 2.02
HBond donors 4
HBond acceptors 6
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 W2C.