Molecule card · MolClass #49272
24814496
24814496: 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
- 24814496Mitochondrial Fusion · compound_name
- MolClass ID
- 49272
- InChIKey
- GYERWAQYRZSXRC-UYRXBGFRSA-N
- Canonical SMILES
- Cc1cccc(C)c1n4cccc4(C=C3C(=O)N(c2cccc(c2)C(=O)O)C(=S)S3)
- Standard InChI
- InChI=1S/C23H18N2O3S2/c1-14-6-3-7-15(2)20(14)24-11-5-10-17(24)13-19-21(26)25(23(29)30-19)18-9-4-8-16(12-18)22(27)28/h3-13H,1-2H3,(H,27,28)/b19-13-
- Stored Murcko scaffold
- S1[CH]N([CH]C1=Cc2cccn2-c3ccccc3)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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 119.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.534 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.177
- 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 · 24814496