General Information of the Compound
| Compound ID |
CP0271717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-[(1R)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N9O
|
||||||||||||||||||
| Molecular Weight |
375.396
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](c1ccn2nccc2c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N9O/c1-12(13-3-5-26-15(8-13)2-4-20-26)27-18-17(23-24-27)19-10-16(22-18)14-9-21-25(11-14)6-7-28/h2-5,8-12,28H,6-7H2,1H3/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACLCUVGFTFQZNS-GFCCVEGCSA-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: PT01201, Hepatocyte growth factor receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000450 | NCI-H441 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 165 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|