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TCMDC-140457
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NAMES
  • TCMDC-140457
SMILES
CC(C)(C)c1ccc2[nH]c(-c3ccc(/C=C/C(=O)NCc4ccc(Cl)c(Cl)c4)cc3)nc2c1
InChI
InChI=1S/C27H25Cl2N3O/c1-27(2,3)20-10-12-23-24(15-20)32-26(31-23)19-8-4-17(5-9-19)7-13-25(33)30-16-18-6-11-21(28)22(29)14-18/h4-15H,16H2,1-3H3,(H,30,33)(H,31,32)/b13-7+
MOLECULAR FORMULA
C27H25Cl2N3O
CROSS REFERENCES
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TCMDC-140457

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 477.14
AlogP 7.16
HBond donors 2
HBond acceptors 4
Atoms 58
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 TCMDC-140457.