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079
FEATURES
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NAMES
  • 079
SMILES
CC(C)C(NC(=O)COc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(N)C(O)Cc1ccccc1
InChI
InChI=1S/C31H39N3O5/c1-21(2)29(34-27(36)20-39-24-16-10-5-11-17-24)31(38)33-25(18-22-12-6-3-7-13-22)30(37)28(32)26(35)19-23-14-8-4-9-15-23/h3-17,21,25-26,28-30,35,37H,18-20,32H2,1-2H3,(H,33,38)(H,34,36)/t25-,26+,28+,29-,30+/m0/s1
MOLECULAR FORMULA
C31H39N3O5
CROSS REFERENCES
  • UniChem: 27265281
  • canSAR: 1017308
  • PDBe (Protein Data Bank Europe): 079
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079

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 533.29
AlogP 2.23
HBond donors 6
HBond acceptors 8
Atoms 78
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 079.