Molecule card · MolClass #41387
24802148
24802148: 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
- 24802148Mitochondrial Fusion · compound_name
- MolClass ID
- 41387
- InChIKey
- NCRIOAPDIOOBCI-DTQAZKPQSA-N
- Canonical SMILES
- Oc3ccccc3(N=C1c2ccccc2(OC(O)=C1[N+](=O)[O-]))
- Standard InChI
- InChI=1S/C15H10N2O5/c18-11-7-3-2-6-10(11)16-13-9-5-1-4-8-12(9)22-15(19)14(13)17(20)21/h1-8,18-19H/b16-13+
- Stored Murcko scaffold
- N(c1ccccc1)=C2C=COc3ccccc23
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.092
- 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 · 24802148