TCMDC-140473
FEATURES
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NAMES
  • TCMDC-140473
SMILES
O=C(O)C(F)(F)F.c1ccc(CN2CCC(NCc3ccccc3-c3ccc(CNC4CCCC4)cc3)CC2)cc1
InChI
InChI=1S/C31H39N3.C2HF3O2/c1-2-8-26(9-3-1)24-34-20-18-30(19-21-34)33-23-28-10-4-7-13-31(28)27-16-14-25(15-17-27)22-32-29-11-5-6-12-29;3-2(4,5)1(6)7/h1-4,7-10,13-17,29-30,32-33H,5-6,11-12,18-24H2;(H,6,7)
MOLECULAR FORMULA
C33H40F3N3O2
CROSS REFERENCES
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TCMDC-140473
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight567.31
AlogP6.77
HBond donors3
HBond acceptors5
Atoms81
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140473.