Molecule card · MolClass #43772
24806711
24806711: 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
- 24806711Mitochondrial Fusion · compound_name
- MolClass ID
- 43772
- InChIKey
- XFKRJJZWUYEDJE-UHFFFAOYSA-N
- Canonical SMILES
- CC(NC(=O)Cn1nc(C)c(c1(C))[N+](=O)[O-])c2ccccc2
- Standard InChI
- InChI=1S/C15H18N4O3/c1-10(13-7-5-4-6-8-13)16-14(20)9-18-12(3)15(19(21)22)11(2)17-18/h4-8,10H,9H2,1-3H3,(H,16,20)
- Stored Murcko scaffold
- n1cccn1C[CH]NCc2ccccc2
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.
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.639
- 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 · 24806711