548515 logo
TCMDC-132441
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • TCMDC-132441
SMILES
CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2Br)n1.O=C(O)C(F)(F)F
InChI
InChI=1S/C22H32BrN5.C2HF3O2/c1-4-28(14-8-13-27-11-6-5-7-12-27)21-16-18(3)24-22(26-21)25-20-10-9-17(2)15-19(20)23;3-2(4,5)1(6)7/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,24,25,26);(H,6,7)
MOLECULAR FORMULA
C24H33BrF3N5O2
CROSS REFERENCES
548515 logo

TCMDC-132441

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 559.18
AlogP 5.94
HBond donors 2
HBond acceptors 7
Atoms 68
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132441.