Molecule card · MolClass #40797
24820693
24820693: 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
- 24820693Mitochondrial Fusion · compound_name
- MolClass ID
- 40797
- InChIKey
- NRVZIYDVWFQSJB-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)c2oc1ccccc1c2n3cccc3
- Standard InChI
- InChI=1S/C13H11N3O2/c14-15-13(17)12-11(16-7-3-4-8-16)9-5-1-2-6-10(9)18-12/h1-8H,14H2,(H,15,17)
- Stored Murcko scaffold
- o1cc(c2ccccc12)-n3cccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.477
- 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 · 24820693