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6EK
FEATURES
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NAMES
  • 6EK
SMILES
NC(=O)OCC(O)CC(NC(=O)C1NCCCC1O)C(=O)NC(Cc1cnc(N)[nH]1)C(=O)NC(C(=O)O)C(O)c1cnc(Cl)[nH]1
InChI
InChI=1S/C24H35ClN10O10/c25-22-29-7-13(34-22)17(38)16(21(42)43)35-19(40)11(4-9-6-30-23(26)31-9)32-18(39)12(5-10(36)8-45-24(27)44)33-20(41)15-14(37)2-1-3-28-15/h6-7,10-12,14-17,28,36-38H,1-5,8H2,(H2,27,44)(H,29,34)(H,32,39)(H,33,41)(H,35,40)(H,42,43)(H3,26,30,31)/t10-,11-,12-,14-,15-,16-,17+/m0/s1
MOLECULAR FORMULA
C24H35ClN10O10
CROSS REFERENCES
  • UniChem: 145511544
  • canSAR: 2025157
  • PDBe (Protein Data Bank Europe): 6EK
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6EK

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 658.22
AlogP -3.86
HBond donors 14
HBond acceptors 20
Atoms 80
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 6EK.