Molecule card · MolClass #48168
14746040
14746040: 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
- 14746040Mitochondrial Fusion · compound_name
- MolClass ID
- 48168
- InChIKey
- GQZWIZWRCBWZIN-XQNSMLJCSA-N
- Canonical SMILES
- O=C4N=C(NN=Cc1ccccc1)SC4(c2ccccc2)(c3ccccc3)
- Standard InChI
- InChI=1S/C22H17N3OS/c26-20-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)27-21(24-20)25-23-16-17-10-4-1-5-11-17/h1-16H,(H,24,25,26)/b23-16+
- Stored Murcko scaffold
- N(=Cc1ccccc1)NC2=N[CH]C(S2)(c3ccccc3)c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.329
- 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 · 14746040