TCMDC-140613
FEATURES
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NAMES
  • TCMDC-140613
SMILES
O=C(NCCc1ccccc1)N(Cc1ccccc1-c1ccc(CNC2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C40H48N4O.C2HF3O2/c45-40(41-26-23-32-11-3-1-4-12-32)44(38-24-27-43(28-25-38)30-34-13-5-2-6-14-34)31-36-15-7-10-18-39(36)35-21-19-33(20-22-35)29-42-37-16-8-9-17-37;3-2(4,5)1(6)7/h1-7,10-15,18-22,37-38,42H,8-9,16-17,23-31H2,(H,41,45);(H,6,7)
MOLECULAR FORMULA
C42H49F3N4O3
CROSS REFERENCES
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TCMDC-140613
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight714.38
AlogP8.44
HBond donors3
HBond acceptors7
Atoms101
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140613.