General Information of the Compound
| Compound ID |
CP0247035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]propyl]-2,6-dichlorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
458.349
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1ccnc(NCCCNC(=O)c2c(Cl)cccc2Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21Cl2N5O2/c1-14(30)28-16-8-6-15(7-9-16)19-10-13-27-22(29-19)26-12-3-11-25-21(31)20-17(23)4-2-5-18(20)24/h2,4-10,13H,3,11-12H2,1H3,(H,25,31)(H,28,30)(H,26,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWRXOIAKTAXUHC-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