Molecule card · MolClass #37304
14738952
14738952: 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
- 14738952Mitochondrial Fusion · compound_name
- MolClass ID
- 37304
- InChIKey
- OSPVKINWJBBBAL-UHFFFAOYSA-N
- Canonical SMILES
- CCc1cn(nc1(N))S(=O)(=O)c2ccccc2(OC)
- Standard InChI
- InChI=1S/C12H15N3O3S/c1-3-9-8-15(14-12(9)13)19(16,17)11-7-5-4-6-10(11)18-2/h4-8H,3H2,1-2H3,(H2,13,14)
- Stored Murcko scaffold
- n1cccn1Sc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 95.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.712
- 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 · 14738952