Molecule card · MolClass #51478
14742174
14742174: 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
- 14742174Mitochondrial Fusion · compound_name
- MolClass ID
- 51478
- InChIKey
- XEUGSJOOZAROIL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cc1cc(C)nn1C4=Nc2ccccc2C(=O)N4(OCc3ccccc3)
- Standard InChI
- InChI=1S/C23H24N4O2/c1-16(2)13-19-14-17(3)25-26(19)23-24-21-12-8-7-11-20(21)22(28)27(23)29-15-18-9-5-4-6-10-18/h4-12,14,16H,13,15H2,1-3H3
- Stored Murcko scaffold
- n1cccn1C2=Nc3ccccc3[CH]N2OCc4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.463 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.838
- 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 · 14742174