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A-80987
FEATURES
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NAMES
  • A-80987
SMILES
CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)ON[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1
InChI
InChI=1S/C37H43N5O7/c1-26(2)34(41-37(46)48-25-30-17-9-10-19-39-30)35(44)49-42-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,42-43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-,33-,34-/m0/s1
MOLECULAR FORMULA
C37H43N5O7
CROSS REFERENCES
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A-80987

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 669.32
AlogP 4.68
HBond donors 4
HBond acceptors 12
Atoms 92
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 A-80987.