General Information of the Compound
| Compound ID |
CP0316935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-cyanopyridin-3-yl)thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23N7O3S
|
||||||||||||||||||
| Molecular Weight |
549.616
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(nc3)C#N)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23N7O3S/c1-35(28(39)18-5-3-2-4-6-18)21-9-10-23-22(15-21)33-29(36(23)14-13-26(31)37)34-27(38)25-12-11-24(40-25)19-7-8-20(16-30)32-17-19/h2-12,15,17H,13-14H2,1H3,(H2,31,37)(H,33,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKYQXIVHGUEYDB-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound