General Information of the Compound
| Compound ID |
CP0159424
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(benzyloxy)-1-(1-(2-(3-hydroxypyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N4O3
|
||||||||||||||||||
| Molecular Weight |
430.508
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N4O3/c30-22-8-10-27(17-22)12-13-29-24-7-6-21(14-20(24)16-26-29)28-11-9-23(15-25(28)31)32-18-19-4-2-1-3-5-19/h1-7,9,11,14-16,22,30H,8,10,12-13,17-18H2/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZPCZIBGZIYEKK-QFIPXVFZSA-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