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9CJ
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NAMES
  • 9CJ
SMILES
COc1cccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)c1
InChI
InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
MOLECULAR FORMULA
C21H18N2O5
CROSS REFERENCES
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9CJ

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 378.12
AlogP 3.34
HBond donors 3
HBond acceptors 7
Atoms 46
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 9CJ.