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TCMDC-139804
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NAMES
  • TCMDC-139804
SMILES
CC(Cc1ccc(CN(CC(N)=O)Cc2ccc(CC(C)NCCc3cccc(Cl)c3)cc2)cc1)NCCc1cccc(Cl)c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C38H46Cl2N4O.C2HF3O2/c1-28(42-19-17-30-5-3-7-36(39)23-30)21-32-9-13-34(14-10-32)25-44(27-38(41)45)26-35-15-11-33(12-16-35)22-29(2)43-20-18-31-6-4-8-37(40)24-31;3-2(4,5)1(6)7/h3-16,23-24,28-29,42-43H,17-22,25-27H2,1-2H3,(H2,41,45);(H,6,7)
MOLECULAR FORMULA
C40H47Cl2F3N4O3
CROSS REFERENCES
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TCMDC-139804

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 758.30
AlogP 7.64
HBond donors 5
HBond acceptors 7
Atoms 99
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-139804.