Molecule card · MolClass #47158
24819543
24819543: 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
- 24819543Mitochondrial Fusion · compound_name
- MolClass ID
- 47158
- InChIKey
- PNOFCMMJWIDROZ-MTJSOVHGSA-N
- Canonical SMILES
- COc1ccc(cc1)N=Cc3oc4ccc2ccccc2c4(c3(O))
- Standard InChI
- InChI=1S/C20H15NO3/c1-23-15-9-7-14(8-10-15)21-12-18-20(22)19-16-5-3-2-4-13(16)6-11-17(19)24-18/h2-12,22H,1H3/b21-12-
- Stored Murcko scaffold
- N(=Cc1oc2ccc3ccccc3c2c1)c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.532
- 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 · 24819543