Molecule card · MolClass #37634
24818056
24818056: 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
- 24818056Mitochondrial Fusion · compound_name
- MolClass ID
- 37634
- InChIKey
- OHCBWPYVKQRQFB-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2cc(C)c3nnc(n3(c2(c1)))SCc4cccnc4
- Standard InChI
- InChI=1S/C18H16N4OS/c1-12-8-14-5-6-15(23-2)9-16(14)22-17(12)20-21-18(22)24-11-13-4-3-7-19-10-13/h3-10H,11H2,1-2H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SCc4cnccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.216
- 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 · 24818056