Molecule card · MolClass #48651
24820634
24820634: 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
- 24820634Mitochondrial Fusion · compound_name
- MolClass ID
- 48651
- InChIKey
- SGMFERRGOVXNPY-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c2csc(n2)n4ncc(c3ccccn3)c4(N)
- Standard InChI
- InChI=1S/C18H15N5OS/c1-24-13-7-5-12(6-8-13)16-11-25-18(22-16)23-17(19)14(10-21-23)15-4-2-3-9-20-15/h2-11H,19H2,1H3
- Stored Murcko scaffold
- n1ccccc1-c2cnn(c2)-c3nc(cs3)-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.
- 24819106#29182
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
- 107.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.284
- 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 · 24820634