Molecule card · MolClass #43941
7968514
7968514: 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
- 7968514Mitochondrial Fusion · compound_name
- MolClass ID
- 43941
- InChIKey
- QVVUVUFAZOMDEA-UHFFFAOYSA-N
- Canonical SMILES
- CCCC4(NC(c1ccccc1(O))C3C(=O)N(Cc2ccccc2)C(=O)C34)(C(=O)O)
- Standard InChI
- InChI=1S/C23H24N2O5/c1-2-12-23(22(29)30)18-17(19(24-23)15-10-6-7-11-16(15)26)20(27)25(21(18)28)13-14-8-4-3-5-9-14/h3-11,17-19,24,26H,2,12-13H2,1H3,(H,29,30)
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]C3CNC(c4ccccc4)C3[CH]2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.955
- 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 · 7968514