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TCMDC-140716
FEATURES
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NAMES
  • TCMDC-140716
SMILES
COc1ccc2nccc([C@@H](O)CN3CCC(NCCNc4cccc(F)c4)CC3)c2c1.CS(=O)(=O)O
InChI
InChI=1S/C25H31FN4O2.CH4O3S/c1-32-21-5-6-24-23(16-21)22(7-10-29-24)25(31)17-30-13-8-19(9-14-30)27-11-12-28-20-4-2-3-18(26)15-20;1-5(2,3)4/h2-7,10,15-16,19,25,27-28,31H,8-9,11-14,17H2,1H3;1H3,(H,2,3,4)/t25-;/m0./s1
MOLECULAR FORMULA
C26H35FN4O5S
CROSS REFERENCES
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TCMDC-140716

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 534.23
AlogP 3.09
HBond donors 4
HBond acceptors 9
Atoms 72
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140716.