Molecule card · MolClass #51890
14721888
14721888: 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
- 14721888Mitochondrial Fusion · compound_name
- MolClass ID
- 51890
- InChIKey
- OAZKLRNZBXHUIG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C(C)C(=O)Nc3ccccc3(c2ccccc2)
- Standard InChI
- InChI=1S/C21H26N2O/c1-16-12-14-23(15-13-16)17(2)21(24)22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)
- Stored Murcko scaffold
- c1ccc(cc1)-c2ccccc2N[CH]CN3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.445 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.639
- 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 · 14721888