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ASS
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NAMES
  • ASS
SMILES
C/C=C/N(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
InChI
InChI=1S/C29H39N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h4-7,9-10,12-13,16,20-21,24H,8,11,14-15,17-19,22-23H2,1-3H3/b16-4+
MOLECULAR FORMULA
C29H39N3O
CROSS REFERENCES
  • UniChem: 69491681
  • canSAR: 1148514
  • PDBe (Protein Data Bank Europe): ASS
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ASS

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 445.31
AlogP 6.21
HBond donors 0
HBond acceptors 4
Atoms 72
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 ASS.