Molecule card · MolClass #49162
24820436
24820436: 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
- 24820436Mitochondrial Fusion · compound_name
- MolClass ID
- 49162
- InChIKey
- POWABFRIRCLTCE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c(C)c1)Sc3ncnc2onc(C)c23
- Standard InChI
- InChI=1S/C14H13N3OS/c1-8-4-5-11(9(2)6-8)19-14-12-10(3)17-18-13(12)15-7-16-14/h4-7H,1-3H3
- Stored Murcko scaffold
- n1oc2ncnc(Sc3ccccc3)c2c1
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.
- 14729027#51728
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.663
- 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 · 24820436