Molecule card · MolClass #23495
ZINC22759700
ZINC22759700: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- ZINC22759700Metabolite Likeness · compound_name
- MolClass ID
- 23495
- InChIKey
- DCWIHDINPQKOSK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(NC(=O)N(c1ccccc1)C=2CCCCCN=2)
- Standard InChI
- InChI=1S/C20H23N3O/c1-16-10-7-8-13-18(16)22-20(24)23(17-11-4-2-5-12-17)19-14-6-3-9-15-21-19/h2,4-5,7-8,10-13H,3,6,9,14-15H2,1H3,(H,22,24)
- Stored Murcko scaffold
- N1=C(N([CH]Nc2ccccc2)c3ccccc3)CCCCC1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.622
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Metabolite Likeness
Dataset #15 · ZINC22759700