Molecule card · MolClass #51084
17409389
17409389: 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
- 17409389Mitochondrial Fusion · compound_name
- MolClass ID
- 51084
- InChIKey
- CJBCUIUYEITPFF-UHFFFAOYSA-N
- Canonical SMILES
- CSc2nc1ccccc1c(n2)Sc3cccc(c3)Cl
- Standard InChI
- InChI=1S/C15H11ClN2S2/c1-19-15-17-13-8-3-2-7-12(13)14(18-15)20-11-6-4-5-10(16)9-11/h2-9H,1H3
- Stored Murcko scaffold
- n1cnc2ccccc2c1Sc3ccccc3
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.
- 17410861#51028
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.847 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.821
- 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 · 17409389