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TCMDC-140643
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NAMES
  • TCMDC-140643
SMILES
CN1CCN(CCCNCc2cccc(-c3ccc(CNCCc4ccccc4)cc3)c2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C30H40N4.C2HF3O2/c1-33-19-21-34(22-20-33)18-6-16-31-25-28-9-5-10-30(23-28)29-13-11-27(12-14-29)24-32-17-15-26-7-3-2-4-8-26;3-2(4,5)1(6)7/h2-5,7-14,23,31-32H,6,15-22,24-25H2,1H3;(H,6,7)
MOLECULAR FORMULA
C32H41F3N4O2
CROSS REFERENCES
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TCMDC-140643

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 570.32
AlogP 5.05
HBond donors 3
HBond acceptors 6
Atoms 82
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-140643.