Molecule card · MolClass #42487
24821398
24821398: 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
- 24821398Mitochondrial Fusion · compound_name
- MolClass ID
- 42487
- InChIKey
- AVUUIXDNELRJGS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N2CCN(CC2(C))Cc3cnc(Cl)s3
- Standard InChI
- InChI=1S/C16H20ClN3S/c1-12-4-3-5-14(8-12)20-7-6-19(10-13(20)2)11-15-9-18-16(17)21-15/h3-5,8-9,13H,6-7,10-11H2,1-2H3
- Stored Murcko scaffold
- n1csc(c1)CN2CCN(c3ccccc3)CC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.87 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.053
- 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 · 24821398