Molecule card · MolClass #47451
14730150
14730150: 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
- 14730150Mitochondrial Fusion · compound_name
- MolClass ID
- 47451
- InChIKey
- CZQYJAVKKZOKOE-UHFFFAOYSA-N
- Canonical SMILES
- N#CC2=C(N)Oc1cc4ccccc4(cc1C2c3cccs3)
- Standard InChI
- InChI=1S/C18H12N2OS/c19-10-14-17(16-6-3-7-22-16)13-8-11-4-1-2-5-12(11)9-15(13)21-18(14)20/h1-9,17H,20H2
- Stored Murcko scaffold
- O1C=CC(c2sccc2)c3cc4ccccc4cc13
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.228
- 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 · 14730150