Molecule card · MolClass #44649
14732250
14732250: 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
- 14732250Mitochondrial Fusion · compound_name
- MolClass ID
- 44649
- InChIKey
- VIURMXCKGJBPOY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C=2C=CC3=Nc1ccc(cc1C(=O)N3(C=2))Cl)N4CCOCC4
- Standard InChI
- InChI=1S/C17H14ClN3O3/c18-12-2-3-14-13(9-12)17(23)21-10-11(1-4-15(21)19-14)16(22)20-5-7-24-8-6-20/h1-4,9-10H,5-8H2
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N3C=C(C=CC13)[CH]N4CCOCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.765 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.939
- 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 · 14732250