TCMDC-136732
FEATURES
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NAMES
  • TCMDC-136732
SMILES
N#Cc1ccc2[nH]cc(CN3CCC4(CC3)CN(CCNCc3ccccc3)C(=O)O4)c2c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C26H29N5O2.C2HF3O2/c27-15-21-6-7-24-23(14-21)22(17-29-24)18-30-11-8-26(9-12-30)19-31(25(32)33-26)13-10-28-16-20-4-2-1-3-5-20;3-2(4,5)1(6)7/h1-7,14,17,28-29H,8-13,16,18-19H2;(H,6,7)
MOLECULAR FORMULA
C28H30F3N5O4
CROSS REFERENCES
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TCMDC-136732
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight557.22
AlogP4.25
HBond donors3
HBond acceptors9
Atoms70
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-136732.