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TCMDC-138459
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NAMES
  • TCMDC-138459
SMILES
Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN4CCN(C)CC4)n3)ccc12
InChI
InChI=1S/C25H27N5OS/c1-17-3-5-19(31)14-22(17)27-21-7-8-26-23-13-18(4-6-20(21)23)24-16-32-25(28-24)15-30-11-9-29(2)10-12-30/h3-8,13-14,16,31H,9-12,15H2,1-2H3,(H,26,27)
MOLECULAR FORMULA
C25H27N5OS
CROSS REFERENCES
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TCMDC-138459

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 445.19
AlogP 4.86
HBond donors 2
HBond acceptors 6
Atoms 59
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138459.