Molecule card · MolClass #48703
24797767
24797767: 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
- 24797767Mitochondrial Fusion · compound_name
- MolClass ID
- 48703
- InChIKey
- FBCRTSMEGYAJJH-CKLXWILVSA-N
- Canonical SMILES
- N=C2C(=Cc1ccc(O)cc1)C(=O)N=C3N2C(=CS3)c4ccccc4
- Standard InChI
- InChI=1S/C19H13N3O2S/c20-17-15(10-12-6-8-14(23)9-7-12)18(24)21-19-22(17)16(11-25-19)13-4-2-1-3-5-13/h1-11,20,23H/b15-10-,20-17?
- Stored Murcko scaffold
- N=1[CH]C(=Cc2ccccc2)[CH]N3C1SC=C3c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.882
- 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 · 24797767