TCMDC-123539
FEATURES
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NAMES
  • TCMDC-123539
SMILES
CCn1c(SC)nnc1C1CCCN(CC(=O)Nc2nc3ccc(OC)cc3s2)C1
InChI
InChI=1S/C20H26N6O2S2/c1-4-26-18(23-24-20(26)29-3)13-6-5-9-25(11-13)12-17(27)22-19-21-15-8-7-14(28-2)10-16(15)30-19/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,21,22,27)
MOLECULAR FORMULA
C20H26N6O2S2
CROSS REFERENCES
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TCMDC-123539
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight446.16
AlogP3.46
HBond donors1
HBond acceptors8
Atoms56
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-123539.