General Information of the Compound
| Compound ID |
CP0384929
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{3-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-propyl}-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N4O
|
||||||||||||||||||
| Molecular Weight |
452.602
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCC1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O/c1-22-31-32-29(26-15-13-25(14-16-26)24-9-3-2-4-10-24)33(22)27-11-5-6-12-28(27)34-21-7-8-23-17-19-30-20-18-23/h2-6,9-16,23,30H,7-8,17-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTEHMOPQNLCPBL-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor