Molecule card · MolClass #37162
4244749
4244749: 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
- 4244749Mitochondrial Fusion · compound_name
- MolClass ID
- 37162
- InChIKey
- ANODHMFMMDDYQQ-UHFFFAOYSA-N
- Canonical SMILES
- COc2nc1CCCNC(=O)c1s2
- Standard InChI
- InChI=1S/C8H10N2O2S/c1-12-8-10-5-3-2-4-9-7(11)6(5)13-8/h2-4H2,1H3,(H,9,11)
- Stored Murcko scaffold
- n1csc2[CH]NCCCc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.044
- 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 · 4244749