Molecule card · MolClass #37302
14743504
14743504: 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
- 14743504Mitochondrial Fusion · compound_name
- MolClass ID
- 37302
- InChIKey
- XMTQMOBJTDTIHE-SEYXRHQNSA-N
- Canonical SMILES
- CCCC(=O)N=C2N(CC=C)C1CS(=O)(=O)CC1S2
- Standard InChI
- InChI=1S/C12H18N2O3S2/c1-3-5-11(15)13-12-14(6-4-2)9-7-19(16,17)8-10(9)18-12/h4,9-10H,2-3,5-8H2,1H3/b13-12-
- Stored Murcko scaffold
- S1[CH]NC2CSCC12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.102
- 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 · 14743504