Molecule card · MolClass #36283
14725436
14725436: 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
- 14725436Mitochondrial Fusion · compound_name
- MolClass ID
- 36283
- InChIKey
- QVLJKADTAWKKPF-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1nnc(n1c3ccccc23)SC(C)C
- Standard InChI
- InChI=1S/C14H15N3S/c1-9(2)18-14-16-15-13-8-10(3)11-6-4-5-7-12(11)17(13)14/h4-9H,1-3H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.974
- 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 · 14725436