Molecule card · MolClass #49507
24796396
24796396: 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
- 24796396Mitochondrial Fusion · compound_name
- MolClass ID
- 49507
- InChIKey
- UUZQHPBAQBDUTQ-CPNJWEJPSA-N
- Canonical SMILES
- Cc3ccc(N=C(C)c2c(O)c1ccccc1s2)c(C)c3
- Standard InChI
- InChI=1S/C18H17NOS/c1-11-8-9-15(12(2)10-11)19-13(3)18-17(20)14-6-4-5-7-16(14)21-18/h4-10,20H,1-3H3/b19-13+
- Stored Murcko scaffold
- N(=Cc1sc2ccccc2c1)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.539
- 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 · 24796396