TCMDC-140602
FEATURES
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NAMES
  • TCMDC-140602
SMILES
O=C(Nc1ccccc1)N(Cc1ccc(-c2ccc(CNC3CCCC3)cc2)cc1)C1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C38H44N4O.C2HF3O2/c43-38(40-36-13-5-2-6-14-36)42(37-23-25-41(26-24-37)28-31-9-3-1-4-10-31)29-32-17-21-34(22-18-32)33-19-15-30(16-20-33)27-39-35-11-7-8-12-35;3-2(4,5)1(6)7/h1-6,9-10,13-22,35,37,39H,7-8,11-12,23-29H2,(H,40,43);(H,6,7)
MOLECULAR FORMULA
C40H45F3N4O3
CROSS REFERENCES
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TCMDC-140602
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight686.34
AlogP8.72
HBond donors3
HBond acceptors7
Atoms95
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140602.