(4-aminophenyl) N-(4-aminophenyl)-N-methyl-carbamate
Inhibitor information
- CovInDB Inhibitor
- CI005434
- Name
- (4-aminophenyl) N-(4-aminophenyl)-N-methyl-carbamate
- Molecular Formula
- C14H15N3O2
- Molecular Weight
- 257.1164267 g/mol
- Structure
-
- IUPAC Name
- (4-aminophenyl) N-(4-aminophenyl)-N-methyl-carbamate
- InChI
- InChI=1S/C14H15N3O2/c1-17(12-6-2-10(15)3-7-12)14(18)19-13-8-4-11(16)5-9-13/h2-9H,15-16H2,1H3
- InChI Key
- LGXPGCOTEWMFRC-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)Oc1ccc(N)cc1)c1ccc(N)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
257.1164267 g/mol
Computed by RDKit
- logP
-
0.928
Computed by ALOGPS
- logS
-
-1.431
Computed by ALOGPS
- Heavy Atom Count
-
19
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
81.58 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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selectivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.