Molecule card · MolClass #51565
14736748
14736748: 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
- 14736748Mitochondrial Fusion · compound_name
- MolClass ID
- 51565
- InChIKey
- SFCJAXKHIYXCGG-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C(C(C)C(=O)C(C)C2(c1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C21H25NO/c1-4-22-19(17-11-7-5-8-12-17)15(2)21(23)16(3)20(22)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)C2NC(c3ccccc3)C[CH]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.
- 17401900#51197
- RJC 03603#81193
- CC1C(=NO)CC(c2ccccc2)N(C)C1c1ccccc1#151838
- CCCC1C(NC(CC1=NO)c1ccccc1)c1ccccc1#153489
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
- 3
- 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
- 4.123
- 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 · 14736748