TCMDC-137125
FEATURES
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NAMES
  • TCMDC-137125
SMILES
CC(=O)Nc1nc(C(=O)Nc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)cc2)cs1
InChI
InChI=1S/C26H21N5O2S/c1-15-4-3-5-21-23(15)31-24(29-21)19-8-6-17(7-9-19)18-10-12-20(13-11-18)28-25(33)22-14-34-26(30-22)27-16(2)32/h3-14H,1-2H3,(H,28,33)(H,29,31)(H,27,30,32)
MOLECULAR FORMULA
C26H21N5O2S
CROSS REFERENCES
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TCMDC-137125
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight467.14
AlogP5.87
HBond donors3
HBond acceptors7
Atoms55
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-137125.