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TCMDC-141306
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NAMES
  • TCMDC-141306
SMILES
COc1ccc2nccc([C@@H](O)CN3CCC(NS(=O)(=O)c4cc(Br)c(Br)s4)CC3)c2c1
InChI
InChI=1S/C21H23Br2N3O4S2/c1-30-14-2-3-18-16(10-14)15(4-7-24-18)19(27)12-26-8-5-13(6-9-26)25-32(28,29)20-11-17(22)21(23)31-20/h2-4,7,10-11,13,19,25,27H,5-6,8-9,12H2,1H3/t19-/m0/s1
MOLECULAR FORMULA
C21H23Br2N3O4S2
CROSS REFERENCES
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TCMDC-141306

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 602.95
AlogP 4.31
HBond donors 2
HBond acceptors 7
Atoms 55
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 TCMDC-141306.