Molecule card · MolClass #51266
17387050
17387050: 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
- 17387050Mitochondrial Fusion · compound_name
- MolClass ID
- 51266
- InChIKey
- UZJOKXWIQORHNP-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3c(C)c(Cc1ccccc1)sc3(NC(=O)c2ccccc2)
- Standard InChI
- InChI=1S/C21H19NO3S/c1-14-17(13-15-9-5-3-6-10-15)26-20(18(14)21(24)25-2)22-19(23)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,22,23)
- Stored Murcko scaffold
- s1c(ccc1Cc2ccccc2)N[CH]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.
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.266
- 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 · 17387050