TCMDC-141284
FEATURES
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NAMES
  • TCMDC-141284
SMILES
CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2nc(C)c(=O)cc2SCc2ccc(F)cc2)CC1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C35H36F4N4O2S.C4H6O6/c1-3-41-18-16-31(17-19-41)42(21-25-4-8-27(9-5-25)28-10-12-29(13-11-28)35(37,38)39)33(45)22-43-34(20-32(44)24(2)40-43)46-23-26-6-14-30(36)15-7-26;5-1(3(7)8)2(6)4(9)10/h4-15,20,31H,3,16-19,21-23H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
MOLECULAR FORMULA
C39H42F4N4O8S
CROSS REFERENCES
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TCMDC-141284
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight802.27
AlogP5.06
HBond donors4
HBond acceptors12
Atoms98
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-141284.