Molecule card · MolClass #40390
24827583
24827583: 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
- 24827583Mitochondrial Fusion · compound_name
- MolClass ID
- 40390
- InChIKey
- ZTLXJMGSTKVYOO-UHFFFAOYSA-N
- Canonical SMILES
- CCN(C(=O)CSc2nnc1ccccn12)C3CCS(=O)(=O)C3
- Standard InChI
- InChI=1S/C14H18N4O3S2/c1-2-17(11-6-8-23(20,21)10-11)13(19)9-22-14-16-15-12-5-3-4-7-18(12)14/h3-5,7,11H,2,6,8-10H2,1H3
- Stored Murcko scaffold
- n1nc2ccccn2c1SC[CH][N]C3CSCC3
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.
- 3713074#40350
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 118.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.934
- 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 · 24827583