Molecule card · MolClass #36197
14743825
14743825: 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
- 14743825Mitochondrial Fusion · compound_name
- MolClass ID
- 36197
- InChIKey
- JODBYNRHXKIANW-FXBPSFAMSA-N
- Canonical SMILES
- O=C(N=C2N=C3C=CC(=CN3(Cc1ccccc12))Cl)c4cccs4
- Standard InChI
- InChI=1S/C18H12ClN3OS/c19-13-7-8-16-20-17(21-18(23)15-6-3-9-24-15)14-5-2-1-4-12(14)10-22(16)11-13/h1-9,11H,10H2/b21-17-
- Stored Murcko scaffold
- N([CH]c1sccc1)=C2N=C3C=CC=CN3Cc4ccccc24
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
- 4
- 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
- 73.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.827 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.87
- 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 · 14743825