Molecule card · MolClass #48282
14739324
14739324: 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
- 14739324Mitochondrial Fusion · compound_name
- MolClass ID
- 48282
- InChIKey
- LHMXSGJHEUTTLE-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N(C(=O)c2ccc(F)cc2)C3=CC4CCC(C3)N4(C)
- Standard InChI
- InChI=1S/C22H23FN2O2/c1-24-18-7-8-19(24)14-20(13-18)25(17-9-11-21(27-2)12-10-17)22(26)15-3-5-16(23)6-4-15/h3-6,9-13,18-19H,7-8,14H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N(c2ccccc2)C3=CC4NC(C3)CC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.004
- 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 · 14739324