Molecule card · MolClass #38710
24820561
24820561: 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
- 24820561Mitochondrial Fusion · compound_name
- MolClass ID
- 38710
- InChIKey
- FEPOQBJSQBMFJH-UHFFFAOYSA-N
- Canonical SMILES
- Nc1c(cnn1c3nc(c2ccccc2)c(CC(=O)O)s3)c4ccsc4
- Standard InChI
- InChI=1S/C18H14N4O2S2/c19-17-13(12-6-7-25-10-12)9-20-22(17)18-21-16(11-4-2-1-3-5-11)14(26-18)8-15(23)24/h1-7,9-10H,8,19H2,(H,23,24)
- Stored Murcko scaffold
- n1cc(cn1-c2nc(cs2)-c3ccccc3)-c4cscc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 150.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.939
- 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 · 24820561