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S20
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NAMES
  • S20
SMILES
Cc1cc(N)nc(CCc2cccc(C(O)Cc3cc(C)cc(N)n3)c2)c1
InChI
InChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26)/t20-/m0/s1
MOLECULAR FORMULA
C22H26N4O
CROSS REFERENCES
  • UniChem: 76240183
  • canSAR: 1148262
  • PDBe (Protein Data Bank Europe): S20
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S20

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 362.21
AlogP 3.32
HBond donors 5
HBond acceptors 5
Atoms 53
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 S20.