Molecule card · MolClass #50350
17515255
17515255: 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
- 17515255Mitochondrial Fusion · compound_name
- MolClass ID
- 50350
- InChIKey
- KQXKBCNHGQUWOB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc3nc(cc(c1ccccc1)c3(c2))c4cccc(c4)NS(C)(=O)=O
- Standard InChI
- InChI=1S/C23H20N2O2S/c1-16-11-12-22-21(13-16)20(17-7-4-3-5-8-17)15-23(24-22)18-9-6-10-19(14-18)25-28(2,26)27/h3-15,25H,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2c(cc1-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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.771
- 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 · 17515255