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7K7
FEATURES
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NAMES
  • 7K7
SMILES
CC1C[NH2+]CCCN1S(=O)(=O)c1cccc2cnccc12
InChI
InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/p+1/t12-/m1/s1
MOLECULAR FORMULA
C15H20N3O2S+
CROSS REFERENCES
  • UniChem: 166440631
  • canSAR: 2135720
  • PDBe (Protein Data Bank Europe): 7K7
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7K7

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 306.13
AlogP 0.58
HBond donors 2
HBond acceptors 5
Atoms 41
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 7K7.