Molecule card · MolClass #42040
17402633
17402633: 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
- 17402633Mitochondrial Fusion · compound_name
- MolClass ID
- 42040
- InChIKey
- DCHJBOSLQRMIFB-SDQBBNPISA-N
- Canonical SMILES
- Cc2ccccc2(C=NNC(=O)c1csnn1)
- Standard InChI
- InChI=1S/C11H10N4OS/c1-8-4-2-3-5-9(8)6-12-14-11(16)10-7-17-15-13-10/h2-7H,1H3,(H,14,16)/b12-6-
- Stored Murcko scaffold
- n1nc(cs1)[CH]NN=Cc2ccccc2
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
- 5
- 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
- 95.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.144
- 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 · 17402633