Molecule card · MolClass #50233
22402624
22402624: 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
- 22402624Mitochondrial Fusion · compound_name
- MolClass ID
- 50233
- InChIKey
- RGFFXXFDZKRXEE-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)C(=O)NC(NNC(=O)c2cccs2)=S
- Standard InChI
- InChI=1S/C17H19N3O2S2/c1-17(2,3)12-8-6-11(7-9-12)14(21)18-16(23)20-19-15(22)13-5-4-10-24-13/h4-10H,1-3H3,(H,19,22)(H2,18,20,21,23)
- Stored Murcko scaffold
- s1cccc1[CH]NN[CH]N[CH]c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.03
- 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 · 22402624