Molecule card · MolClass #37571
24834729
24834729: 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
- 24834729Mitochondrial Fusion · compound_name
- MolClass ID
- 37571
- InChIKey
- JTJIYCUEECXILO-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1nnc(n1c3ccccc23)SCC(=O)N(C)C4CCS(=O)(=O)C4
- Standard InChI
- InChI=1S/C18H20N4O3S2/c1-12-9-16-19-20-18(22(16)15-6-4-3-5-14(12)15)26-10-17(23)21(2)13-7-8-27(24,25)11-13/h3-6,9,13H,7-8,10-11H2,1-2H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SC[CH][N]C4CSCC4
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
- 6
- 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
- 118.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.509 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.303
- 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 · 24834729