TCMDC-141249
FEATURES
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NAMES
  • TCMDC-141249
SMILES
CCN(CC)CCCCNc1cc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc3cc(OC)ccc3c2)ccn1.O=C(O)C(F)(F)F
InChI
InChI=1S/C33H35Cl2N5O.C2HF3O2/c1-4-40(5-2)18-7-6-16-36-29-21-25(15-17-37-29)32-31(38-33(39-32)30-27(34)9-8-10-28(30)35)24-12-11-23-20-26(41-3)14-13-22(23)19-24;3-2(4,5)1(6)7/h8-15,17,19-21H,4-7,16,18H2,1-3H3,(H,36,37)(H,38,39);(H,6,7)
MOLECULAR FORMULA
C35H36Cl2F3N5O3
CROSS REFERENCES
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TCMDC-141249
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight701.21
AlogP9.44
HBond donors3
HBond acceptors8
Atoms84
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-141249.