Molecule card · MolClass #49405
24805309
24805309: 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
- 24805309Mitochondrial Fusion · compound_name
- MolClass ID
- 49405
- InChIKey
- QBOSVRUWNQNHSP-UHFFFAOYSA-N
- Canonical SMILES
- C[n+]3c1ccccc1n2N=C(CSc23)c4ccc(cc4)c5ccccc5
- Standard InChI
- InChI=1S/C22H18N3S/c1-24-20-9-5-6-10-21(20)25-22(24)26-15-19(23-25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3/q+1
- Stored Murcko scaffold
- N1=C(c2ccc(cc2)-c3ccccc3)CSc4[nH+]c5ccccc5n14
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
- 1
- 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
- 46.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.609
- 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 · 24805309