2-chloro-N-[3-[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]acetamide
Inhibitor information
- CovInDB Inhibitor
- CI008408
- Name
- 2-chloro-N-[3-[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]acetamide
- Molecular Formula
- C20H19ClN4O3
- Molecular Weight
- 398.1145681 g/mol
- Structure
-
- IUPAC Name
- 2-chloro-N-[3-[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]acetamide
- InChI
- InChI=1S/C20H19ClN4O3/c1-27-17-8-3-2-5-14(17)12-22-18-10-20(24-13-23-18)28-16-7-4-6-15(9-16)25-19(26)11-21/h2-10,13H,11-12H2,1H3,(H,25,26)(H,22,23,24)
- InChI Key
- DLTPETSUUSGXOZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1CNc1cc(Oc2cccc(NC(=O)CCl)c2)ncn1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
398.1145681 g/mol
Computed by RDKit
- logP
-
3.69
Computed by ALOGPS
- logS
-
-4.43
Computed by ALOGPS
- Heavy Atom Count
-
28
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
6
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
8
Computed by RDKit
- Topological Polar Surface Area
-
85.37 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.