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H8K
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NAMES
  • H8K
SMILES
OC1CCC(NCc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccoc2)CC1
InChI
InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)/t16-,17-
MOLECULAR FORMULA
C21H23N3O2
CROSS REFERENCES
  • UniChem: 27265083
  • canSAR: 1017119
  • PDBe (Protein Data Bank Europe): H8K
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H8K

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 349.18
AlogP 3.63
HBond donors 3
HBond acceptors 5
Atoms 49
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 H8K.