Molecule card · MolClass #48237
7972386
7972386: 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
- 7972386Mitochondrial Fusion · compound_name
- MolClass ID
- 48237
- InChIKey
- ZVRUUCJURYVUBN-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c4c(C)n(OCc1ccccc1)c3ccc2c(no[n+]2([O-]))c34
- Standard InChI
- InChI=1S/C19H17N3O5/c1-3-25-19(23)16-12(2)21(26-11-13-7-5-4-6-8-13)14-9-10-15-18(17(14)16)20-27-22(15)24/h4-10H,3,11H2,1-2H3
- Stored Murcko scaffold
- n1o[nH+]c2ccc3c(ccn3OCc4ccccc4)c12
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.668
- 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 · 7972386