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1WJ
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NAMES
  • 1WJ
SMILES
CNc1nc2c(CCC3OC(OC)C(OC)C3O)c3nc(N)[nH]c(=O)c3cc2[nH]1
InChI
InChI=1S/C18H24N6O5/c1-20-18-21-9-6-8-11(22-17(19)24-15(8)26)7(12(9)23-18)4-5-10-13(25)14(27-2)16(28-3)29-10/h6,10,13-14,16,25H,4-5H2,1-3H3,(H2,20,21,23)(H3,19,22,24,26)/t10-,13-,14-,16-/m1/s1
MOLECULAR FORMULA
C18H24N6O5
CROSS REFERENCES
  • UniChem: 96509176
  • canSAR: 1594224
  • PDBe (Protein Data Bank Europe): 1WJ
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1WJ

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 404.18
AlogP 0.10
HBond donors 6
HBond acceptors 11
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 1WJ.