Molecule card · MolClass #40016
4264524
4264524: 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
- 4264524Mitochondrial Fusion · compound_name
- MolClass ID
- 40016
- InChIKey
- FAIVZCRUPGPMRK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)OC(=O)C3=C(N)OC(C)=C(C(C)=O)C23(C(=O)Nc1ccccc12)
- Standard InChI
- InChI=1S/C19H20N2O5/c1-9(2)25-17(23)15-16(20)26-11(4)14(10(3)22)19(15)12-7-5-6-8-13(12)21-18(19)24/h5-9H,20H2,1-4H3,(H,21,24)
- Stored Murcko scaffold
- O1C=CC2(C=C1)[CH]Nc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.306
- 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 · 4264524