General Information of the Compound
| Compound ID |
CP0197708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimidin-2-ylamino)isophthalamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15ClN6O4
|
||||||||||||||||||
| Molecular Weight |
426.82
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15ClN6O4/c20-12-1-2-13-16(30-8-29-13)15(12)25-14-3-4-23-19(26-14)24-11-6-9(17(21)27)5-10(7-11)18(22)28/h1-7H,8H2,(H2,21,27)(H2,22,28)(H2,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCPINKCJNXYHSN-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