Molecule card · MolClass #51369
14746462
14746462: 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
- 14746462Mitochondrial Fusion · compound_name
- MolClass ID
- 51369
- InChIKey
- HPWHHYCSEAAPCG-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c5ccccc5(OC1(C=Cc2ccccc2(O1))N4(Cc3ccccc3))
- Standard InChI
- InChI=1S/C23H17NO3/c25-22-19-11-5-7-13-21(19)27-23(24(22)16-17-8-2-1-3-9-17)15-14-18-10-4-6-12-20(18)26-23/h1-15H,16H2
- Stored Murcko scaffold
- O1c2ccccc2C=CC13Oc4ccccc4[CH]N3Cc5ccccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.065
- 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 · 14746462