Molecule card · MolClass #40743
7964820
7964820: 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
- 7964820Mitochondrial Fusion · compound_name
- MolClass ID
- 40743
- InChIKey
- ZVYSKRYDUPNWBL-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1(OCC))c5cc(NC(=O)Cn4ncc3COc2ccccc2c34)on5
- Standard InChI
- InChI=1S/C25H24N4O5/c1-3-31-21-10-9-16(11-22(21)32-4-2)19-12-24(34-28-19)27-23(30)14-29-25-17(13-26-29)15-33-20-8-6-5-7-18(20)25/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
- Stored Murcko scaffold
- n1oc(cc1-c2ccccc2)N[CH]Cn3ncc4c3-c5ccccc5OC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 460.483 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.448
- 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 · 7964820