General Information of the Compound
| Compound ID |
CP0454154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(benzyloxy)-1-(1-(3-(dimethylamino)-2-hydroxypropyl)-1H-indazol-5-yl)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N4O3
|
||||||||||||||||||
| Molecular Weight |
418.497
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC(O)Cn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O3/c1-26(2)15-21(29)16-28-23-9-8-20(12-19(23)14-25-28)27-11-10-22(13-24(27)30)31-17-18-6-4-3-5-7-18/h3-14,21,29H,15-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANELXFZEUXIIJD-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2