General Information of the Compound
| Compound ID |
CP0147634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-N-[2-(methylamino)ethyl]-1H-pyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClN6O
|
||||||||||||||||||
| Molecular Weight |
384.871
|
||||||||||||||||||
| Canonical SMILES |
CNCCNC(=O)c1cc([nH]c1-c1cc(Cl)ccc1C)-c1ccnc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21ClN6O/c1-11-3-4-12(20)9-13(11)17-14(18(27)23-8-7-22-2)10-16(25-17)15-5-6-24-19(21)26-15/h3-6,9-10,22,25H,7-8H2,1-2H3,(H,23,27)(H2,21,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKTCWCPLTZQABU-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