2-chloro-N-[3-[6-(p-tolylmethylamino)pyrimidin-4-yl]oxyphenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI008412
- Name
- 2-chloro-N-[3-[6-(p-tolylmethylamino)pyrimidin-4-yl]oxyphenyl]acetamide
- Molecular Formula
- C20H19ClN4O2
- Molecular Weight
- 382.1196535 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-[3-[6-(p-tolylmethylamino)pyrimidin-4-yl]oxyphenyl]acetamide
- InChI
- InChI=1S/C20H19ClN4O2/c1-14-5-7-15(8-6-14)12-22-18-10-20(24-13-23-18)27-17-4-2-3-16(9-17)25-19(26)11-21/h2-10,13H,11-12H2,1H3,(H,25,26)(H,22,23,24)
- InChI Key
- UXTVXFOJCWNJRD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(CNc2cc(Oc3cccc(NC(=O)CCl)c3)ncn2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
382.1196535 g/mol
Computed by RDKit
- logP
-
3.95
Computed by ALOGPS
- logS
-
-4.83
Computed by ALOGPS
- Heavy Atom Count
-
27
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
7
Computed by RDKit
- Topological Polar Surface Area
-
76.14 Å2
Computed by RDKit
3D Structure
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.