TCMDC-132677
FEATURES
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NAMES
  • TCMDC-132677
SMILES
FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)s3)nc2c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H23F3N6S.C2HF3O2/c28-27(29,30)20-5-6-21-22(15-20)34-26(33-21)24-8-7-23(37-24)19-3-1-18(2-4-19)17-35-11-13-36(14-12-35)25-16-31-9-10-32-25;3-2(4,5)1(6)7/h1-10,15-16H,11-14,17H2,(H,33,34);(H,6,7)
MOLECULAR FORMULA
C29H24F6N6O2S
CROSS REFERENCES
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TCMDC-132677
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight634.16
AlogP6.72
HBond donors2
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-132677.