Molecule card · MolClass #51932
14719270
14719270: 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
- 14719270Mitochondrial Fusion · compound_name
- MolClass ID
- 51932
- InChIKey
- RONZICBXBMHZOJ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCSC=2C=NN(c1ccccc1)C(=O)C=2SCCCC
- Standard InChI
- InChI=1S/C18H24N2OS2/c1-3-5-12-22-16-14-19-20(15-10-8-7-9-11-15)18(21)17(16)23-13-6-4-2/h7-11,14H,3-6,12-13H2,1-2H3
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.529 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.728
- 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 · 14719270