General Information of the Compound
| Compound ID |
CP0388163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[3-[(2-aminoacetyl)amino]phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19N5O3S
|
||||||||||||||||||
| Molecular Weight |
469.526
|
||||||||||||||||||
| Canonical SMILES |
NCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19N5O3S/c26-13-19-18(15-5-3-6-16(11-15)28-23(32)14-27)12-20(17-7-1-2-8-21(17)31)29-24(19)30-25(33)22-9-4-10-34-22/h1-12,31H,14,27H2,(H,28,32)(H,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCMGRNOOGGLMKP-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