Molecule card · MolClass #38280
17510032
17510032: 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
- 17510032Mitochondrial Fusion · compound_name
- MolClass ID
- 38280
- InChIKey
- XDAMEQLIEISCQF-BDWMUDNWSA-N
- Canonical SMILES
- CSC3=NSC2=NC(=O)C(=Cc1cccs1)C(=N)N23
- Standard InChI
- InChI=1S/C11H8N4OS3/c1-17-11-14-19-10-13-9(16)7(8(12)15(10)11)5-6-3-2-4-18-6/h2-5,12H,1H3/b7-5-,12-8?
- Stored Murcko scaffold
- N=1SC2=N[CH]C(=Cc3sccc3)[CH]N2C1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 147.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.69
- 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 · 17510032