4-[[6-(prop-2-enoylamino)-4-quinolyl]oxy]-N-(2-pyridyl)benzamide
Inhibitor information
- CovInDB Inhibitor
- CI006235
- Name
- 4-[[6-(prop-2-enoylamino)-4-quinolyl]oxy]-N-(2-pyridyl)benzamide
- Molecular Formula
- C24H18N4O3
- Molecular Weight
- 410.1378904 g/mol
- Structure
-
- IUPAC Name
- 4-[[6-(prop-2-enoylamino)-4-quinolyl]oxy]-N-(2-pyridyl)benzamide
- InChI
- InChI=1S/C24H18N4O3/c1-2-23(29)27-17-8-11-20-19(15-17)21(12-14-25-20)31-18-9-6-16(7-10-18)24(30)28-22-5-3-4-13-26-22/h2-15H,1H2,(H,27,29)(H,26,28,30)
- InChI Key
- HCWYTVLYULMQKD-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
410.1378904 g/mol
Computed by RDKit
- logP
-
3.772
Computed by ALOGPS
- logS
-
-6.846
Computed by ALOGPS
- Heavy Atom Count
-
31
Computed by RDKit
- Ring Count
-
4
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
5
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
93.21 Å2
Computed by RDKit
3D Structure
targets
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selectivity
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reactivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.