General Information of the Compound
| Compound ID |
CP0423675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N5OS
|
||||||||||||||||||
| Molecular Weight |
375.457
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N5OS/c1-13-12-14(26)2-3-17(13)24-9-5-15-18(4-7-21-19(15)24)25-10-6-16(23-25)20-22-8-11-27-20/h2-4,6-8,10-12,26H,5,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPBAFPNBOIHJCC-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