General Information of the Compound
| Compound ID |
CP0539531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-chlorophenyl)-[4-(2-sec-butoxy-4-pyridyl)pyrimidin-2-yl]amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClN4O
|
||||||||||||||||||
| Molecular Weight |
354.841
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)Oc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClN4O/c1-3-13(2)25-18-11-14(7-9-21-18)17-8-10-22-19(24-17)23-16-6-4-5-15(20)12-16/h4-13H,3H2,1-2H3,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASJKXLWMEDOKEV-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3