Molecule card · MolClass #50460
17512784
17512784: 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
- 17512784Mitochondrial Fusion · compound_name
- MolClass ID
- 50460
- InChIKey
- RSIWUSHFTQTAFQ-KEBDBYFISA-N
- Canonical SMILES
- Cc2ccc3nc(c(C=NNC(=O)c1ccccc1(O))cc3(c2))Cl
- Standard InChI
- InChI=1S/C18H14ClN3O2/c1-11-6-7-15-12(8-11)9-13(17(19)21-15)10-20-22-18(24)14-4-2-3-5-16(14)23/h2-10,23H,1H3,(H,22,24)/b20-10+
- Stored Murcko scaffold
- N(=Cc1cnc2ccccc2c1)N[CH]c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.776 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.697
- 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 · 17512784