Molecule card · MolClass #36040
856701
856701: 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
- 856701Mitochondrial Fusion · compound_name
- MolClass ID
- 36040
- InChIKey
- CLZVWAWTBIWIMO-UHFFFAOYSA-N
- Canonical SMILES
- CC2(NCCN1C(=O)CSC12)(c3ccccc3)
- Standard InChI
- InChI=1S/C13H16N2OS/c1-13(10-5-3-2-4-6-10)12-15(8-7-14-13)11(16)9-17-12/h2-6,12,14H,7-9H2,1H3
- Stored Murcko scaffold
- S1C[CH]N2CCNC(c3ccccc3)C12
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.091
- 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 · 856701