Molecule card · MolClass #51521
14738776
14738776: 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
- 14738776Mitochondrial Fusion · compound_name
- MolClass ID
- 51521
- InChIKey
- KASKHZWLFXRWLY-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N3c4ccc1ccccc1c4(C(C)CC23(CCCCC2))
- Standard InChI
- InChI=1S/C21H25NO/c1-15-14-21(12-6-3-7-13-21)22(16(2)23)19-11-10-17-8-4-5-9-18(17)20(15)19/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3
- Stored Murcko scaffold
- [N]1c2ccc3ccccc3c2CCC14CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.214
- 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 · 14738776