Molecule card · MolClass #36382
17386760
17386760: 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
- 17386760Mitochondrial Fusion · compound_name
- MolClass ID
- 36382
- InChIKey
- ANBICWUKCFLASK-UHFFFAOYSA-N
- Canonical SMILES
- CCSC2=NN1C(=O)c3ccccc3(N=C1S2)
- Standard InChI
- InChI=1S/C11H9N3OS2/c1-2-16-11-13-14-9(15)7-5-3-4-6-8(7)12-10(14)17-11/h3-6H,2H2,1H3
- Stored Murcko scaffold
- N1=CSC2=Nc3ccccc3[CH]N12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.456
- 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 · 17386760