(4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
Inhibitor information
- CovInDB Inhibitor
- CI003473
- Name
- (4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
- Molecular Formula
- C22H24N4O
- Molecular Weight
- 360.2 g/mol
- Structure
-
- IUPAC Name
- (4-methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
- InChI
- InChI=1S/C22H24N4O/c1-18-15-23-26(16-18)22(27)25-13-11-24(12-14-25)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3
- InChI Key
- DNCWRSCWBREESA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
360.2 g/mol
Computed by RDKit
- logP
-
3.51
Computed by ALOGPS
- logS
-
-3.96
Computed by ALOGPS
- Heavy Atom Count
-
27
Computed by RDKit
- Ring Count
-
4
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
41.37 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.