Molecule card · MolClass #40158
14742248
14742248: 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
- 14742248Mitochondrial Fusion · compound_name
- MolClass ID
- 40158
- InChIKey
- SFMONPNXAMKQMY-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=1C(Nc3ccccc3(OC=1N(C)C2(=O)))c4cccc(c4)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C19H16N4O5/c1-21-17(24)15-16(11-6-5-7-12(10-11)23(26)27)20-13-8-3-4-9-14(13)28-18(15)22(2)19(21)25/h3-10,16,20H,1-2H3
- Stored Murcko scaffold
- n1cnc2Oc3ccccc3NC(c4ccccc4)c2c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.138
- 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 · 14742248