Molecule card · MolClass #51646
14734439
14734439: 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
- 14734439Mitochondrial Fusion · compound_name
- MolClass ID
- 51646
- InChIKey
- RVZKUFCFLFHTLT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(c(OC(=O)c1cccs1)c2Sc3ccccc3)C(C)(C)C
- Standard InChI
- InChI=1S/C19H20N2O2S2/c1-13-16(25-14-9-6-5-7-10-14)17(21(20-13)19(2,3)4)23-18(22)15-11-8-12-24-15/h5-12H,1-4H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)c(O[CH]c3sccc3)[nH]1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.507 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.284
- 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 · 14734439