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Arofylline
FEATURES
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NAMES
  • Arofylline
  • LAS 31025
SMILES
CCCn1c(=O)c2nc[nH]c2n(-c2ccc(Cl)cc2)c1=O
InChI
InChI=1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)
MOLECULAR FORMULA
C14H13ClN4O2
CROSS REFERENCES
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Arofylline

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 304.07
AlogP 1.94
HBond donors 1
HBond acceptors 6
Atoms 34
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Arofylline.