Molecule card · MolClass #38744
7975670
7975670: 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
- 7975670Mitochondrial Fusion · compound_name
- MolClass ID
- 38744
- InChIKey
- NVFYHANSBCMKIF-SSDVNMTOSA-N
- Canonical SMILES
- CC4(C)(Oc2ccc1C=CC(=O)Oc1c2C(C=Nc3ccccn3)=C4(O))
- Standard InChI
- InChI=1S/C20H16N2O4/c1-20(2)19(24)13(11-22-15-5-3-4-10-21-15)17-14(26-20)8-6-12-7-9-16(23)25-18(12)17/h3-11,24H,1-2H3/b22-11+
- Stored Murcko scaffold
- n1ccccc1N=CC2=CCOc3ccc4C=C[CH]Oc4c32
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
- 4
- 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
- 81.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.949
- 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 · 7975670