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2W3
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NAMES
  • 2W3
SMILES
CCc1cc(-c2nc(O)c(C(N)=O)c(=O)[nH]2)nc(C2CCCCC2C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChI
InChI=1S/C25H26Cl2N6O4/c1-2-13-10-18(22-32-24(36)19(20(28)34)25(37)33-22)31-21(30-13)14-5-3-4-6-15(14)23(35)29-11-12-7-8-16(26)17(27)9-12/h7-10,14-15H,2-6,11H2,1H3,(H2,28,34)(H,29,35)(H2,32,33,36,37)/t14-,15-/m0/s1
MOLECULAR FORMULA
C25H26Cl2N6O4
CROSS REFERENCES
  • UniChem: 69466301
  • canSAR: 1148684
  • PDBe (Protein Data Bank Europe): 2W3
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2W3

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 544.14
AlogP 3.49
HBond donors 5
HBond acceptors 10
Atoms 63
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 2W3.