General Information of the Compound
| Compound ID |
CP0506194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-amino-2-methylpropan-2-yl)-3-[3-cyano-6-(2-hydroxyphenyl)-2-[(4-methoxybenzoyl)amino]pyridin-4-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29N5O4
|
||||||||||||||||||
| Molecular Weight |
535.604
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(cc(-c2cccc(c2)C(=O)NC(C)(C)CN)c1C#N)-c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29N5O4/c1-31(2,18-33)36-30(39)21-8-6-7-20(15-21)24-16-26(23-9-4-5-10-27(23)37)34-28(25(24)17-32)35-29(38)19-11-13-22(40-3)14-12-19/h4-16,37H,18,33H2,1-3H3,(H,36,39)(H,34,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRVJIROLAKNYTG-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