Molecule card · MolClass #48729
14722099
14722099: 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
- 14722099Mitochondrial Fusion · compound_name
- MolClass ID
- 48729
- InChIKey
- BSUXGZTXJWZSKT-UHFFFAOYSA-N
- Canonical SMILES
- CCC(Oc1ccccc1)C(=O)Nc3nc2CC(C)(C)CC(=O)c2s3
- Standard InChI
- InChI=1S/C19H22N2O3S/c1-4-15(24-12-8-6-5-7-9-12)17(23)21-18-20-13-10-19(2,3)11-14(22)16(13)25-18/h5-9,15H,4,10-11H2,1-3H3,(H,20,21,23)
- Stored Murcko scaffold
- n1c(sc2[CH]CCCc12)N[CH]COc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.082
- 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 · 14722099