Molecule card · MolClass #46686
14731956
14731956: 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
- 14731956Mitochondrial Fusion · compound_name
- MolClass ID
- 46686
- InChIKey
- IEVWMKCKVIAPKO-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C3c4cc5OCOc5(cc4(N=C2CC(C)(C)CC(O)=C23))
- Standard InChI
- InChI=1S/C23H23NO4/c1-23(2)10-17-22(18(25)11-23)21(13-5-4-6-14(7-13)26-3)15-8-19-20(28-12-27-19)9-16(15)24-17/h4-9,21,25H,10-12H2,1-3H3
- Stored Murcko scaffold
- N=1c2cc3OCOc3cc2C(c4ccccc4)C5=CCCCC15
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.712
- 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 · 14731956