General Information of the Compound
| Compound ID |
CP0108824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-chloropyridin-2-yl)-3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClN5O3
|
||||||||||||||||||
| Molecular Weight |
437.887
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1N1CC[C@@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClN5O3/c1-31-21-9-16(3-5-19(21)26-7-6-17(29)12-26)27-13-25-28-11-14(8-20(28)22(27)30)18-4-2-15(23)10-24-18/h2-5,8-11,13,17,29H,6-7,12H2,1H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKYSAAKSQGUHJV-QGZVFWFLSA-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