Molecule card · MolClass #48860
14741562
14741562: 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
- 14741562Mitochondrial Fusion · compound_name
- MolClass ID
- 48860
- InChIKey
- AVIUBFYZEGCWIQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2onc(c1ccccc1)c2c4nnc(n4(c3ccccc3Cl))S
- Standard InChI
- InChI=1S/C18H13ClN4OS/c1-11-15(16(22-24-11)12-7-3-2-4-8-12)17-20-21-18(25)23(17)14-10-6-5-9-13(14)19/h2-10H,1H3,(H,21,25)
- Stored Murcko scaffold
- n1nc(-c2conc2-c3ccccc3)n(c1)-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
- 2
- 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
- 95.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.842 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.616
- 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 · 14741562