Molecule card · MolClass #47629
14718791
14718791: 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
- 14718791Mitochondrial Fusion · compound_name
- MolClass ID
- 47629
- InChIKey
- KCYNINVAHHCOJE-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CN(C(=O)c1ccccc1)C(N2c3ccc(cc3)Cl)=S
- Standard InChI
- InChI=1S/C17H13ClN2OS/c1-12-11-19(16(21)13-5-3-2-4-6-13)17(22)20(12)15-9-7-14(18)8-10-15/h2-11H,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2C=CN([CH]2)c3ccccc3
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
- 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
- 55.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.818 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.765
- 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 · 14718791