Molecule card · MolClass #40930
14725386
14725386: 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
- 14725386Mitochondrial Fusion · compound_name
- MolClass ID
- 40930
- InChIKey
- KLLZENCHIRYFEH-UHFFFAOYSA-N
- Canonical SMILES
- CC14(CN2CN(C1)CC(C2)(c3ccccc3)C4(=O))
- Standard InChI
- InChI=1S/C15H18N2O/c1-14-7-16-9-15(13(14)18,10-17(8-14)11-16)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C23[CH]C4CN(CN(C4)C2)C3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.906
- 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 · 14725386