TCMDC-140952
FEATURES
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NAMES
  • TCMDC-140952
SMILES
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2ccc(F)c(F)c2F)nc(=O)c2ccccc21.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C38H36F6N4O2.C4H6O6/c1-3-46(4-2)21-22-47(23-25-9-11-26(12-10-25)27-13-17-29(18-14-27)38(42,43)44)34(49)24-48-32-8-6-5-7-30(32)37(50)45-33(48)20-16-28-15-19-31(39)36(41)35(28)40;5-1(3(7)8)2(6)4(9)10/h5-15,17-19H,3-4,16,20-24H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
MOLECULAR FORMULA
C42H42F6N4O8
CROSS REFERENCES
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TCMDC-140952
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight844.29
AlogP5.53
HBond donors4
HBond acceptors12
Atoms102
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140952.