Molecule card · MolClass #46234
4243380
4243380: 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
- 4243380Mitochondrial Fusion · compound_name
- MolClass ID
- 46234
- InChIKey
- JHLLHZZTXIRHMN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1cc(no1)C(=O)Nc2cc(C)on2
- Standard InChI
- InChI=1S/C11H13N3O3/c1-6(2)9-5-8(13-17-9)11(15)12-10-4-7(3)16-14-10/h4-6H,1-3H3,(H,12,14,15)
- Stored Murcko scaffold
- n1occc1[CH]Nc2nocc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.698
- 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 · 4243380