Molecule card · MolClass #46732
7972786
7972786: 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
- 7972786Mitochondrial Fusion · compound_name
- MolClass ID
- 46732
- InChIKey
- WYJHFQAMKUBJST-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1)N4CCN5C(=O)c2ccccc2C45(c3ccccc3)
- Standard InChI
- InChI=1S/C23H19N3O2/c27-21-19-13-7-8-14-20(19)23(17-9-3-1-4-10-17)25(21)15-16-26(23)22(28)24-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,28)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCN3[CH]c4ccccc4C23c5ccccc5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.698
- 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 · 7972786