Molecule card · MolClass #38856
4243008
4243008: 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
- 4243008Mitochondrial Fusion · compound_name
- MolClass ID
- 38856
- InChIKey
- KYTFDPUNAIZGBJ-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=O)c3c(C1)noc3(c2ccccc2))
- Standard InChI
- InChI=1S/C15H15NO2/c1-15(2)8-11-13(12(17)9-15)14(18-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
- Stored Murcko scaffold
- n1oc(-c2ccccc2)c3[CH]CCCc13
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.828
- 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 · 4243008