General Information of the Compound
| Compound ID |
CP0494486
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-chloropyridin-2-yl)-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClN5O2
|
||||||||||||||||||
| Molecular Weight |
399.882
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(CC3)c3ncccc3Cl)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClN5O2/c21-17-2-1-6-22-19(17)25-8-10-26(11-9-25)20(28)23-7-5-14-13-24-18-4-3-15(27)12-16(14)18/h1-4,6,12-13,24,27H,5,7-11H2,(H,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCPBNPYSVDRUJY-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1