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TCMDC-125052
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NAMES
  • TCMDC-125052
SMILES
Cc1sc2nc(CSc3ccccc3)nc(N3CCN(CC(=O)N4CCCC4)CC3)c2c1C
InChI
InChI=1S/C25H31N5OS2/c1-18-19(2)33-25-23(18)24(26-21(27-25)17-32-20-8-4-3-5-9-20)30-14-12-28(13-15-30)16-22(31)29-10-6-7-11-29/h3-5,8-9H,6-7,10-17H2,1-2H3
MOLECULAR FORMULA
C25H31N5OS2
CROSS REFERENCES
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TCMDC-125052

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 481.20
AlogP 4.34
HBond donors 0
HBond acceptors 6
Atoms 64
Contains toxicophore No
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-125052.