General Information of the Compound
| Compound ID |
CP0458134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-aminophenyl)-N-(1H-indazol-5-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N6O
|
||||||||||||||||||
| Molecular Weight |
410.481
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc3[nH]ncc3c2)c2ncc(cc12)-c1ccc(N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N6O/c1-14(2)30-13-20(24(31)28-19-7-8-21-17(9-19)12-27-29-21)23-22(30)10-16(11-26-23)15-3-5-18(25)6-4-15/h3-14H,25H2,1-2H3,(H,27,29)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSDSXHNOKLNQQL-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
Protein ID: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2