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18Z
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NAMES
  • 18Z
SMILES
NC(=O)c1cc([N+](=O)[O-])c(NCCN2CCNCC2)cc1NCc1cnc(N)nc1
InChI
InChI=1S/C18H25N9O3/c19-17(28)13-7-16(27(29)30)15(22-3-6-26-4-1-21-2-5-26)8-14(13)23-9-12-10-24-18(20)25-11-12/h7-8,10-11,21-23H,1-6,9H2,(H2,19,28)(H2,20,24,25)
MOLECULAR FORMULA
C18H25N9O3
CROSS REFERENCES
  • UniChem: 27264819
  • canSAR: 1017416
  • PDBe (Protein Data Bank Europe): 18Z
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18Z

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 415.21
AlogP -0.00
HBond donors 7
HBond acceptors 12
Atoms 55
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 18Z.