Molecule card · MolClass #51364
14746526
14746526: 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
- 14746526Mitochondrial Fusion · compound_name
- MolClass ID
- 51364
- InChIKey
- ZVRWECHSZKIITD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCN3c1ccccc1Sc2ccccc23)Nc4ccccc4
- Standard InChI
- InChI=1S/C21H18N2OS/c24-21(22-16-8-2-1-3-9-16)14-15-23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
- Stored Murcko scaffold
- S1c2ccccc2N(c3ccccc13)CC[CH]Nc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.986
- 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 · 14746526