Molecule card · MolClass #37686
17516773
17516773: 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
- 17516773Mitochondrial Fusion · compound_name
- MolClass ID
- 37686
- InChIKey
- KMYMCJIUHIGRCC-NTUHNPAUSA-N
- Canonical SMILES
- Cc2cc(O)nc(NN=C(C)C1CC1)n2
- Standard InChI
- InChI=1S/C10H14N4O/c1-6-5-9(15)12-10(11-6)14-13-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,11,12,14,15)/b13-7+
- Stored Murcko scaffold
- N(=CC1CC1)Nc2ncccn2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.086
- 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 · 17516773