Molecule card · MolClass #51448
14743282
14743282: 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
- 14743282Mitochondrial Fusion · compound_name
- MolClass ID
- 51448
- InChIKey
- KCAAKNDWTOASQH-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc1nc(no1)c2ccccc2)NCCc3ccccc3
- Standard InChI
- InChI=1S/C19H19N3O2/c23-17(20-14-13-15-7-3-1-4-8-15)11-12-18-21-19(22-24-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,23)
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)CC[CH]NCCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.415
- 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 · 14743282