Molecule card · MolClass #46186
857862
857862: 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
- 857862Mitochondrial Fusion · compound_name
- MolClass ID
- 46186
- InChIKey
- IBYKUFVAOHGLRZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2c3ccccc3(OC(=O)c2(c(N)n1))
- Standard InChI
- InChI=1S/C13H10N2O2/c1-7-6-9-8-4-2-3-5-10(8)17-13(16)11(9)12(14)15-7/h2-6H,1H3,(H2,14,15)
- Stored Murcko scaffold
- n1ccc-2c(c1)[CH]Oc3ccccc32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.416
- 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 · 857862