Molecule card · MolClass #38636
24831934
24831934: 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
- 24831934Mitochondrial Fusion · compound_name
- MolClass ID
- 38636
- InChIKey
- SRHUZRLOTWRWID-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(c(C)c1)C(=O)Cn2nc(C)c(c2(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H17N3O3/c1-9-5-6-13(10(2)7-9)14(19)8-17-12(4)15(18(20)21)11(3)16-17/h5-7H,8H2,1-4H3
- Stored Murcko scaffold
- n1cccn1C[CH]c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.466
- 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 · 24831934