TCMDC-132626
FEATURES
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NAMES
  • TCMDC-132626
SMILES
COc1ccc(-c2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1CN1CCC(O)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H27N3O3.C2HF3O2/c1-33-26-9-8-21(15-23(26)18-30-12-10-25(31)11-13-30)20-5-3-7-24(16-20)29-27(32)22-6-2-4-19(14-22)17-28;3-2(4,5)1(6)7/h2-9,14-16,25,31H,10-13,18H2,1H3,(H,29,32);(H,6,7)
MOLECULAR FORMULA
C29H28F3N3O5
CROSS REFERENCES
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TCMDC-132626
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight555.20
AlogP5.08
HBond donors3
HBond acceptors8
Atoms68
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132626.