Molecule card · MolClass #47472
7975629
7975629: 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
- 7975629Mitochondrial Fusion · compound_name
- MolClass ID
- 47472
- InChIKey
- NAFBKLZPZGSDOA-WOJGMQOQSA-N
- Canonical SMILES
- CSc3ccccc3(N=Cc1nc(oc1(O))c2ccccc2)
- Standard InChI
- InChI=1S/C17H14N2O2S/c1-22-15-10-6-5-9-13(15)18-11-14-17(20)21-16(19-14)12-7-3-2-4-8-12/h2-11,20H,1H3/b18-11+
- Stored Murcko scaffold
- N(=Cc1nc(oc1)-c2ccccc2)c3ccccc3
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.
- 14741536#47950
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 83.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.372 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.311
- 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 · 7975629