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TCMDC-133331
FEATURES
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NAMES
  • TCMDC-133331
SMILES
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cn2ncc(N3CCCNCC3)c(Cl)c2=O)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C23H24Cl2N6O2.C2HF3O2/c24-17-4-8-19(9-5-17)29-23(33)28-18-6-2-16(3-7-18)15-31-22(32)21(25)20(14-27-31)30-12-1-10-26-11-13-30;3-2(4,5)1(6)7/h2-9,14,26H,1,10-13,15H2,(H2,28,29,33);(H,6,7)
MOLECULAR FORMULA
C25H25Cl2F3N6O4
CROSS REFERENCES
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TCMDC-133331

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 600.13
AlogP 4.68
HBond donors 4
HBond acceptors 10
Atoms 65
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-133331.