Molecule card · MolClass #51728
14729027
14729027: 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
- 14729027Mitochondrial Fusion · compound_name
- MolClass ID
- 51728
- InChIKey
- XUOYVMBJAVNINX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1noc2ncnc(c12)Sc3ccccc3Cl
- Standard InChI
- InChI=1S/C12H8ClN3OS/c1-7-10-11(17-16-7)14-6-15-12(10)18-9-5-3-2-4-8(9)13/h2-6H,1H3
- Stored Murcko scaffold
- n1oc2ncnc(Sc3ccccc3)c2c1
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.
- 24820436#49162
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.731 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.622
- 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 · 14729027