Molecule card · MolClass #51660
14732273
14732273: 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
- 14732273Mitochondrial Fusion · compound_name
- MolClass ID
- 51660
- InChIKey
- MJFBWLLCCXNNPW-ZVHZXABRSA-N
- Canonical SMILES
- COc1cc(ccc1(O))C=NN=C(Nc2ccc(C)cc2)c4nc3ccccc3s4
- Standard InChI
- InChI=1S/C23H20N4O2S/c1-15-7-10-17(11-8-15)25-22(23-26-18-5-3-4-6-21(18)30-23)27-24-14-16-9-12-19(28)20(13-16)29-2/h3-14,28H,1-2H3,(H,25,27)/b24-14+
- Stored Murcko scaffold
- N(N=C(Nc1ccccc1)c2nc3ccccc3s2)=Cc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 416.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.493
- 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 · 14732273