(4-aminophenyl) N-(4-guanidinophenyl)carbamate
Inhibitor information
- CovInDB Inhibitor
- CI005431
- Name
- (4-aminophenyl) N-(4-guanidinophenyl)carbamate
- Molecular Formula
- C14H15N5O2
- Molecular Weight
- 285.1225747 g/mol
- Structure
-
- IUPAC Name
- (4-aminophenyl) N-(4-guanidinophenyl)carbamate
- InChI
- InChI=1S/C14H15N5O2/c15-9-1-7-12(8-2-9)21-14(20)19-11-5-3-10(4-6-11)18-13(16)17/h1-8H,15H2,(H,19,20)(H4,16,17,18)
- InChI Key
- NSDVUXAFEOVNGB-UHFFFAOYSA-N
- Canonical SMILES
- N=C(N)Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
285.1225747 g/mol
Computed by RDKit
- logP
-
0.792
Computed by ALOGPS
- logS
-
-2.986
Computed by ALOGPS
- Heavy Atom Count
-
21
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
5
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
126.25 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.