General Information of the Compound
| Compound ID |
CP0903563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Isopropyl-[5-methoxy-2-(1H-pyrrol-2-yl)pyrimidin-4-yl]-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16N4O
|
||||||||||||||||||
| Molecular Weight |
232.287
|
||||||||||||||||||
| Canonical SMILES |
COc1cnc(-c2ccc[nH]2)nc1NC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16N4O/c1-8(2)15-12-10(17-3)7-14-11(16-12)9-5-4-6-13-9/h4-8,13H,1-3H3,(H,14,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBGJCNGGNBYIJN-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