TCMDC-134682
FEATURES
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NAMES
  • TCMDC-134682
SMILES
N#Cc1cccc(Nc2ncc3c(-c4cccc(NC(=O)Cc5cccc(Cl)c5)c4)c[nH]c3n2)c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H19ClN6O.C2HF3O2/c28-20-7-1-4-17(10-20)12-25(35)32-22-9-3-6-19(13-22)23-15-30-26-24(23)16-31-27(34-26)33-21-8-2-5-18(11-21)14-29;3-2(4,5)1(6)7/h1-11,13,15-16H,12H2,(H,32,35)(H2,30,31,33,34);(H,6,7)
MOLECULAR FORMULA
C29H20ClF3N6O3
CROSS REFERENCES
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TCMDC-134682
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight592.12
AlogP6.71
HBond donors4
HBond acceptors9
Atoms62
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-134682.