Molecule card · MolClass #46033
3711903
3711903: 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
- 3711903Mitochondrial Fusion · compound_name
- MolClass ID
- 46033
- InChIKey
- UOMQKWRCJQBGPL-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)Nc3nc2ccc1nc(C)sc1c2s3
- Standard InChI
- InChI=1S/C13H13N3OS2/c1-3-4-10(17)16-13-15-9-6-5-8-11(12(9)19-13)18-7(2)14-8/h5-6H,3-4H2,1-2H3,(H,15,16,17)
- Stored Murcko scaffold
- n1csc2c1ccc3ncsc32
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
- 111.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.775
- 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 · 3711903