Molecule card · MolClass #49739
24785276
24785276: 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
- 24785276Mitochondrial Fusion · compound_name
- MolClass ID
- 49739
- InChIKey
- UUBCUYADTFBTPN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2csc3ncnc(c23)SCc4ccc(cc4)C(=O)O
- Standard InChI
- InChI=1S/C21H16N2O2S2/c1-13-2-6-15(7-3-13)17-11-27-20-18(17)19(22-12-23-20)26-10-14-4-8-16(9-5-14)21(24)25/h2-9,11-12H,10H2,1H3,(H,24,25)
- Stored Murcko scaffold
- n1cnc(SCc2ccccc2)c3c1scc3-c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.779
- 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 · 24785276