Molecule card · MolClass #48658
14734719
14734719: 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
- 14734719Mitochondrial Fusion · compound_name
- MolClass ID
- 48658
- InChIKey
- RJDJSUBSVZFXDP-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc2C(=O)N(C=Cc12)CC(=O)N4CCc3ccccc34
- Standard InChI
- InChI=1S/C20H18N2O3/c1-25-18-8-4-6-16-15(18)10-11-21(20(16)24)13-19(23)22-12-9-14-5-2-3-7-17(14)22/h2-8,10-11H,9,12-13H2,1H3
- Stored Murcko scaffold
- c1ccc2[CH]N(C=Cc2c1)C[CH]N3c4ccccc4CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.338
- 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 · 14734719