Molecule card · MolClass #49708
24785323
24785323: 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
- 24785323Mitochondrial Fusion · compound_name
- MolClass ID
- 49708
- InChIKey
- OKJGYJKUYOPDRF-UHFFFAOYSA-N
- Canonical SMILES
- CC[n+]4c1ccccc1sc4(C=C3N(C)C=C(c2ccccc2(C))S3)
- Standard InChI
- InChI=1S/C21H21N2S2/c1-4-23-17-11-7-8-12-18(17)24-21(23)13-20-22(3)14-19(25-20)16-10-6-5-9-15(16)2/h5-14H,4H2,1-3H3/q+1
- Stored Murcko scaffold
- S1C(=Cc2sc3ccccc3[nH+]2)NC=C1c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.538 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.583
- 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 · 24785323