TCMDC-132417
FEATURES
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NAMES
  • TCMDC-132417
SMILES
Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)N(CCNC(C)C)C(C)C)c1Br.Cl
InChI
InChI=1S/C29H33BrF3N3O4.ClH/c1-17(2)34-15-16-36(18(3)4)28(37)39-27-25(19(5)35-20(6)26(27)30)21-7-9-22(10-8-21)38-23-11-13-24(14-12-23)40-29(31,32)33;/h7-14,17-18,34H,15-16H2,1-6H3;1H
MOLECULAR FORMULA
C29H34BrClF3N3O4
CROSS REFERENCES
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TCMDC-132417
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight659.14
AlogP8.45
HBond donors1
HBond acceptors7
Atoms75
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132417.