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821
FEATURES
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NAMES
  • 821
SMILES
CC(=O)N/C(=C\c1ccc(CC(=O)O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O
InChI
InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1
MOLECULAR FORMULA
C33H33N3O6
CROSS REFERENCES
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821

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 567.24
AlogP 3.97
HBond donors 3
HBond acceptors 9
Atoms 75
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 821.