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TCMDC-139987
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NAMES
  • TCMDC-139987
SMILES
CN(C(=O)C1(c2ccc(Cl)cc2)CC1)C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1
InChI
InChI=1S/C30H36Cl3N3O2/c1-35(29(38)30(15-16-30)23-7-9-24(31)10-8-23)25-13-19-36(20-14-25)18-4-2-3-17-34-28(37)12-6-22-5-11-26(32)27(33)21-22/h5-12,21,25H,2-4,13-20H2,1H3,(H,34,37)/b12-6+
MOLECULAR FORMULA
C30H36Cl3N3O2
CROSS REFERENCES
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TCMDC-139987

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 575.19
AlogP 6.60
HBond donors 1
HBond acceptors 5
Atoms 74
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-139987.