Molecule card · MolClass #45586
14723611
14723611: 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
- 14723611Mitochondrial Fusion · compound_name
- MolClass ID
- 45586
- InChIKey
- CIFWOGZODTYLBU-WJDWOHSUSA-N
- Canonical SMILES
- O=CN(Cc1ccccc1)C=C3C(=O)c2ccccc2S3
- Standard InChI
- InChI=1S/C17H13NO2S/c19-12-18(10-13-6-2-1-3-7-13)11-16-17(20)14-8-4-5-9-15(14)21-16/h1-9,11-12H,10H2/b16-11-
- Stored Murcko scaffold
- [N](C=C1Sc2ccccc2[CH]1)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.218
- 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 · 14723611