TCMDC-140270
FEATURES
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NAMES
  • TCMDC-140270
SMILES
CN1CCC[C@H]1COc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12.O=C(O)C(F)(F)F
InChI
InChI=1S/C28H31Cl2N3O2.C2HF3O2/c1-32-13-4-5-22(32)18-35-27-11-9-20(23-6-2-3-7-24(23)27)16-33-14-12-21(17-33)31-28(34)19-8-10-25(29)26(30)15-19;3-2(4,5)1(6)7/h2-3,6-11,15,21-22H,4-5,12-14,16-18H2,1H3,(H,31,34);(H,6,7)/t21-,22-;/m0./s1
MOLECULAR FORMULA
C30H32Cl2F3N3O4
CROSS REFERENCES
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TCMDC-140270
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight625.17
AlogP6.26
HBond donors2
HBond acceptors7
Atoms74
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140270.