General Information of the Compound
| Compound ID |
CP0356431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-chloropyrimidin-2-yl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClN5O4
|
||||||||||||||||||
| Molecular Weight |
453.886
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1OCC(O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ncc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClN5O4/c1-31-20-7-16(4-5-19(20)32-11-18(29)13-2-3-13)27-12-26-28-10-14(6-17(28)22(27)30)21-24-8-15(23)9-25-21/h4-10,12-13,18,29H,2-3,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJRQMEMJIWBDAJ-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