Molecule card · MolClass #48467
24829492
24829492: 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
- 24829492Mitochondrial Fusion · compound_name
- MolClass ID
- 48467
- InChIKey
- YHHDUPCPDHRLJN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1occc1c2nnc(o2)SCCNCCO
- Standard InChI
- InChI=1S/C11H15N3O3S/c1-8-9(2-6-16-8)10-13-14-11(17-10)18-7-4-12-3-5-15/h2,6,12,15H,3-5,7H2,1H3
- Stored Murcko scaffold
- n1nc(oc1)-c2cocc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.325
- 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 · 24829492