Molecule card · MolClass #43767
24821460
24821460: 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
- 24821460Mitochondrial Fusion · compound_name
- MolClass ID
- 43767
- InChIKey
- YVQIVWLVEPIYJL-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c3ccnc2cc(nn23)C(=O)O
- Standard InChI
- InChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-6-7-15-13-8-11(14(18)19)16-17(12)13/h2-8H,1H3,(H,18,19)
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)n3nccc13
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
- 76.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.016
- 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 · 24821460