Molecule card · MolClass #44335
24785618
24785618: 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
- 24785618Mitochondrial Fusion · compound_name
- MolClass ID
- 44335
- InChIKey
- DVTBLUUUVRYJBL-UHFFFAOYSA-N
- Canonical SMILES
- CN2CC3(Cc1cc(ccc12)[N+](=O)[O-])(C(=O)N(C)C(=O)N(C)C3(=O))
- Standard InChI
- InChI=1S/C15H16N4O5/c1-16-8-15(12(20)17(2)14(22)18(3)13(15)21)7-9-6-10(19(23)24)4-5-11(9)16/h4-6H,7-8H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH][N][CH]C2([CH]1)CNc3ccccc3C2
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
- 6
- 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
- 104.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.612
- 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 · 24785618