+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X5O |
---|---|
Name | Name: Synonyms: 4-{1-[(5M)-4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzene-1-carbonyl]piperidin-4-yl}benzonitrile |
-Chemical information
Composition | Formula: C27H29N5O / Number of atoms: 62 / Formula weight: 439.552 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X5O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8EYK | ||||
History |
| ||||
External links | BindingDB / UniChem / ChEMBL / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.06 |
---|
-InChIKey
InChI 1.06 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
---|