Molecule card · MolClass #37655
7965790
7965790: 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
- 7965790Mitochondrial Fusion · compound_name
- MolClass ID
- 37655
- InChIKey
- JFZWBTWBSSDBMW-DYTRJAOYSA-N
- Canonical SMILES
- COc1cccc(c1(OC))C3C(C(C)=Nc2ncnn23)=C(O)OCc4ccccc4
- Standard InChI
- InChI=1S/C22H22N4O4/c1-14-18(21(27)30-12-15-8-5-4-6-9-15)19(26-22(25-14)23-13-24-26)16-10-7-11-17(28-2)20(16)29-3/h4-11,13,19,27H,12H2,1-3H3/b21-18+
- Stored Murcko scaffold
- n1cnn2c1N=CC(=COCc3ccccc3)C2c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 406.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.114
- 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 · 7965790