General Information of the Compound
| Compound ID |
CP0014082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(4-hydroxyphenyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]-6-methylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N3O
|
||||||||||||||||||
| Molecular Weight |
357.457
|
||||||||||||||||||
| Canonical SMILES |
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)c1C#N)-c1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3O/c1-14-6-5-7-18(19(14)12-24)21-20(16-8-10-17(27)11-9-16)22-15(2)23(3,4)13-26(22)25-21/h5-11,15,27H,13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHXSLQUXNZUSIU-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