General Information of the Compound
| Compound ID |
CP0004253
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[4,5,5-trimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N3O2
|
||||||||||||||||||
| Molecular Weight |
389.499
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-c1c(nn2CC(C)(C)C(C)c12)-c1cccc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O2/c1-6-29-23(28)18-12-10-17(11-13-18)20-21(19-9-7-8-15(2)25-19)26-27-14-24(4,5)16(3)22(20)27/h7-13,16H,6,14H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUQJLUVEHCATLN-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