General Information of the Compound
| Compound ID |
CP0467701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-4-[6-methyl-4-[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N7O
|
||||||||||||||||||
| Molecular Weight |
399.458
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(c2CCN(c2n1)c1ccc(cc1C)C#N)-n1ccc(n1)N1CCNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N7O/c1-14-11-16(13-23)3-4-18(14)27-8-5-17-19(12-15(2)25-21(17)27)29-9-6-20(26-29)28-10-7-24-22(28)30/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,24,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXPAAMLRLMOPBB-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