Molecule card · MolClass #36393
24793141
24793141: 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
- 24793141Mitochondrial Fusion · compound_name
- MolClass ID
- 36393
- InChIKey
- OPHLVKGFJCPXCT-UHFFFAOYSA-N
- Canonical SMILES
- CCCSc1nc(O)c3c(n1)c2COC(C)(CC)Cc2s3
- Standard InChI
- InChI=1S/C15H20N2O2S2/c1-4-6-20-14-16-11-9-8-19-15(3,5-2)7-10(9)21-12(11)13(18)17-14/h4-8H2,1-3H3,(H,16,17,18)
- Stored Murcko scaffold
- n1cnc2c(sc3c2COCC3)c1
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
- 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
- 108.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.027
- 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 · 24793141