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TCMDC-139994
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NAMES
  • TCMDC-139994
SMILES
Cc1c(CC(=O)N(C)C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)sc2ccc(Cl)cc12
InChI
InChI=1S/C31H36Cl3N3O2S/c1-21-25-19-23(32)8-10-28(25)40-29(21)20-31(39)36(2)24-12-16-37(17-13-24)15-5-3-4-14-35-30(38)11-7-22-6-9-26(33)27(34)18-22/h6-11,18-19,24H,3-5,12-17,20H2,1-2H3,(H,35,38)/b11-7+
MOLECULAR FORMULA
C31H36Cl3N3O2S
CROSS REFERENCES
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TCMDC-139994

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 619.16
AlogP 7.64
HBond donors 1
HBond acceptors 5
Atoms 76
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-139994.