General Information of the Compound
| Compound ID |
CP0307933
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[hydroxy(diphenyl)methyl]triazol-2-yl]-[2-(phenoxymethyl)piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N4O3
|
||||||||||||||||||
| Molecular Weight |
468.557
|
||||||||||||||||||
| Canonical SMILES |
OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccccc1)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N4O3/c33-27(31-19-11-10-16-24(31)21-35-25-17-8-3-9-18-25)32-29-20-26(30-32)28(34,22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-9,12-15,17-18,20,24,34H,10-11,16,19,21H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VOCRRNGEIPIBAF-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