TCMDC-138339
FEATURES
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NAMES
  • TCMDC-138339
SMILES
COc1cc(Nc2ccnc3cc(-c4nccs4)ccc23)ccc1OCCCc1nc2ccccc2[nH]1.Cl
InChI
InChI=1S/C29H25N5O2S.ClH/c1-35-27-18-20(9-11-26(27)36-15-4-7-28-33-23-5-2-3-6-24(23)34-28)32-22-12-13-30-25-17-19(8-10-21(22)25)29-31-14-16-37-29;/h2-3,5-6,8-14,16-18H,4,7,15H2,1H3,(H,30,32)(H,33,34);1H
MOLECULAR FORMULA
C29H26ClN5O2S
CROSS REFERENCES
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TCMDC-138339
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight543.15
AlogP7.42
HBond donors2
HBond acceptors7
Atoms64
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138339.