Molecule card · MolClass #48003
24809878
24809878: 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
- 24809878Mitochondrial Fusion · compound_name
- MolClass ID
- 48003
- InChIKey
- OKRIIXQGYJWTIZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccnn3(Cc1cc(C(=O)O)c2ccccc2(n1))
- Standard InChI
- InChI=1S/C15H13N3O2/c1-10-6-7-16-18(10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)17-11/h2-8H,9H2,1H3,(H,19,20)
- Stored Murcko scaffold
- n1cccn1Cc2nc3ccccc3cc2
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
- 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
- 68.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.35
- 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 · 24809878