Molecule card · MolClass #51506
14739712
14739712: 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
- 14739712Mitochondrial Fusion · compound_name
- MolClass ID
- 51506
- InChIKey
- SWKMHOXMQSEHBX-UHFFFAOYSA-N
- Canonical SMILES
- CC4(C)(C1(C)(CCC4(OC1(=O))(C(=O)N(Cc2ccccc2)Cc3ccccc3)))
- Standard InChI
- InChI=1S/C24H27NO3/c1-22(2)23(3)14-15-24(22,28-21(23)27)20(26)25(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
- Stored Murcko scaffold
- O1[CH]C2CCC1([CH]N(Cc3ccccc3)Cc4ccccc4)C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.477 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.012
- 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 · 14739712