Molecule card · MolClass #41109
24801712
24801712: 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
- 24801712Mitochondrial Fusion · compound_name
- MolClass ID
- 41109
- InChIKey
- LKOMWLJLHQKXPZ-LICLKQGHSA-N
- Canonical SMILES
- Oc2oc(nc2(C=Nc1ccccn1))c3ccccc3
- Standard InChI
- InChI=1S/C15H11N3O2/c19-15-12(10-17-13-8-4-5-9-16-13)18-14(20-15)11-6-2-1-3-7-11/h1-10,19H/b17-10+
- Stored Murcko scaffold
- n1ccccc1N=Cc2nc(oc2)-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.045
- 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 · 24801712