Molecule card · MolClass #46471
3717160
3717160: 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
- 3717160Mitochondrial Fusion · compound_name
- MolClass ID
- 46471
- InChIKey
- MSLWJDFZJOUINW-UHFFFAOYSA-N
- Canonical SMILES
- CC1=Nc3c(C(=O)O1)c2CCCCc2s3
- Standard InChI
- InChI=1S/C11H11NO2S/c1-6-12-10-9(11(13)14-6)7-4-2-3-5-8(7)15-10/h2-5H2,1H3
- Stored Murcko scaffold
- N1=CO[CH]c2c1sc3c2CCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.729
- 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 · 3717160