Molecule card · MolClass #45753
14727423
14727423: 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
- 14727423Mitochondrial Fusion · compound_name
- MolClass ID
- 45753
- InChIKey
- TZWWBMJXJLCSNR-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C3Nc4ccccc4(Oc2ccccc23)
- Standard InChI
- InChI=1S/C19H15NO/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)20-19/h1-13,19-20H
- Stored Murcko scaffold
- O1c2ccccc2NC(c3ccccc3)c4ccccc14
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.412
- 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.
Mitochondrial Fusion
Dataset #19 · 14727423