Molecule card · MolClass #38110
865001
865001: 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
- 865001Mitochondrial Fusion · compound_name
- MolClass ID
- 38110
- InChIKey
- CQUAAHWMEOWMQJ-ZCXUNETKSA-N
- Canonical SMILES
- CC(C)C(=O)N=C3N(c1cccc(c1)C(C)=O)C2CS(=O)(=O)CC2S3
- Standard InChI
- InChI=1S/C17H20N2O4S2/c1-10(2)16(21)18-17-19(13-6-4-5-12(7-13)11(3)20)14-8-25(22,23)9-15(14)24-17/h4-7,10,14-15H,8-9H2,1-3H3/b18-17-
- Stored Murcko scaffold
- S1[CH]N(c2ccccc2)C3CSCC13
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.654
- 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 · 865001