Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1055475 - Overview - Compound Synopsis

Synonyms
10J
Molecular Formula
C25H21N5O2S
InChI
InChI=1S/C25H21N5O2S/c1-29-23(32)20-13-30(22(31)17-7-3-2-4-8-17)15-25(20,28-24(29)27)21-11-19(14-33-21)18-9-5-6-16(10-18)12-26/h2-11,14,20H,13,15H2,1H3,(H2,27,28)/t20-,25-/m0/s1
Smiles
CN1C(=N)N[C@@]2(c3cc(-c4cccc(C#N)c4)cs3)CN(C(=O)c3ccccc3)C[C@H]2C1=O
Cross References
UniChem27265826
canSAR1055475
PDBe (Protein Data Bank Europe)10J
ChEMBLCHEMBL2178145
BindingDB50398685
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 455.1415959123.250652754Yes


Compounds with the same scaffold


Image of compound ID: 1055475
Murko Scaffold Family: 68 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12