Molecule card · MolClass #51893
14721935
14721935: 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
- 14721935Mitochondrial Fusion · compound_name
- MolClass ID
- 51893
- InChIKey
- YFGHKEIMLVGYQW-UHFFFAOYSA-N
- Canonical SMILES
- CCC4Oc1ccc(C)cc1N(CC(=O)N(Cc2ccc(C)o2)C3CCCC3)C4(=O)
- Standard InChI
- InChI=1S/C24H30N2O4/c1-4-21-24(28)26(20-13-16(2)9-12-22(20)30-21)15-23(27)25(18-7-5-6-8-18)14-19-11-10-17(3)29-19/h9-13,18,21H,4-8,14-15H2,1-3H3
- Stored Murcko scaffold
- o1cccc1CN([CH]CN2[CH]COc3ccccc32)C4CCCC4
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.507 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.332
- 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 · 14721935