Molecule card · MolClass #36619
22412427
22412427: 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
- 22412427Mitochondrial Fusion · compound_name
- MolClass ID
- 36619
- InChIKey
- MYQIAZWGZAQOIW-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCN2CN(Cc1ccccc1)C(=S)SC2
- Standard InChI
- InChI=1S/C15H22N2S2/c1-2-3-7-10-16-12-17(15(18)19-13-16)11-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3
- Stored Murcko scaffold
- S1[CH]N(CNC1)Cc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.408
- 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 · 22412427