Molecule card · MolClass #48247
852610
852610: 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
- 852610Mitochondrial Fusion · compound_name
- MolClass ID
- 48247
- InChIKey
- QBVIAHBQDHSYCL-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)N1CCN(CC1)Cc2ccncc2
- Standard InChI
- InChI=1S/C12H19N3O2S/c1-2-18(16,17)15-9-7-14(8-10-15)11-12-3-5-13-6-4-12/h3-6H,2,7-11H2,1H3
- Stored Murcko scaffold
- n1ccc(cc1)CN2CCNCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.116
- 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 · 852610