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TCMDC-136482
FEATURES
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NAMES
  • TCMDC-136482
SMILES
CN1CCCN(Cc2cccc(-c3cccc(NS(=O)(=O)c4cccc5cccnc45)c3)c2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C28H30N4O2S.C2HF3O2/c1-31-15-6-16-32(18-17-31)21-22-7-2-9-24(19-22)25-10-3-12-26(20-25)30-35(33,34)27-13-4-8-23-11-5-14-29-28(23)27;3-2(4,5)1(6)7/h2-5,7-14,19-20,30H,6,15-18,21H2,1H3;(H,6,7)
MOLECULAR FORMULA
C30H31F3N4O4S
CROSS REFERENCES
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TCMDC-136482

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 600.20
AlogP 5.47
HBond donors 2
HBond acceptors 8
Atoms 73
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-136482.