TCMDC-136625
FEATURES
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NAMES
  • TCMDC-136625
SMILES
CCC(CC)(Cc1ccccc1)NC(=O)[C@H](CC(C)C)Nc1ccc(C#N)c2ccccc12.O=C(O)C(F)(F)F
InChI
InChI=1S/C29H35N3O.C2HF3O2/c1-5-29(6-2,19-22-12-8-7-9-13-22)32-28(33)27(18-21(3)4)31-26-17-16-23(20-30)24-14-10-11-15-25(24)26;3-2(4,5)1(6)7/h7-17,21,27,31H,5-6,18-19H2,1-4H3,(H,32,33);(H,6,7)/t27-;/m0./s1
MOLECULAR FORMULA
C31H36F3N3O3
CROSS REFERENCES
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TCMDC-136625
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight555.27
AlogP7.09
HBond donors3
HBond acceptors6
Atoms76
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-136625.