Molecule card · MolClass #37724
24821693
24821693: 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
- 24821693Mitochondrial Fusion · compound_name
- MolClass ID
- 37724
- InChIKey
- ZDJTWVZXRZKZTD-UHFFFAOYSA-N
- Canonical SMILES
- CC1CN(CC(C)O1)Cc2cnc(Cl)s2
- Standard InChI
- InChI=1S/C10H15ClN2OS/c1-7-4-13(5-8(2)14-7)6-9-3-12-10(11)15-9/h3,7-8H,4-6H2,1-2H3
- Stored Murcko scaffold
- n1csc(c1)CN2CCOCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.758 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.745
- 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 · 24821693