Molecule card · MolClass #39263
3715555
3715555: 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
- 3715555Mitochondrial Fusion · compound_name
- MolClass ID
- 39263
- InChIKey
- HPFZFSDZDXRULX-UHFFFAOYSA-N
- Canonical SMILES
- COc3cc4CCN(Cc2nc(O)c1c(ccs1)n2)Cc4(cc3(OC))
- Standard InChI
- InChI=1S/C18H19N3O3S/c1-23-14-7-11-3-5-21(9-12(11)8-15(14)24-2)10-16-19-13-4-6-25-17(13)18(22)20-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,20,22)
- Stored Murcko scaffold
- n1cc2sccc2nc1CN3Cc4ccccc4CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.873
- 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 · 3715555