Molecule card · MolClass #50582
17507530
17507530: 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
- 17507530Mitochondrial Fusion · compound_name
- MolClass ID
- 50582
- InChIKey
- ZOKWMXAWMBRWRQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)Nc3ncccc3(C(=O)NCc2cccs2)
- Standard InChI
- InChI=1S/C19H19N3OS/c1-13-7-8-14(2)17(11-13)22-18-16(6-3-9-20-18)19(23)21-12-15-5-4-10-24-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
- Stored Murcko scaffold
- n1cccc([CH]NCc2sccc2)c1Nc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.44 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.979
- 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 · 17507530