Molecule card · MolClass #48178
864786
864786: 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
- 864786Mitochondrial Fusion · compound_name
- MolClass ID
- 48178
- InChIKey
- WOGRXIGCLSNXAO-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)Nc1ccc3c(c1)nc2COCCn23
- Standard InChI
- InChI=1S/C11H13N3O3S/c1-18(15,16)13-8-2-3-10-9(6-8)12-11-7-17-5-4-14(10)11/h2-3,6,13H,4-5,7H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2n3c1COCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.393
- 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 · 864786