Molecule card · MolClass #48275
22410656
22410656: 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
- 22410656Mitochondrial Fusion · compound_name
- MolClass ID
- 48275
- InChIKey
- DFRVZIVYWKYYEV-HKOYGPOVSA-N
- Canonical SMILES
- CCN(CC)c3ccc(C=NN(c1ccccc1)c2ccccc2)c(O)c3
- Standard InChI
- InChI=1S/C23H25N3O/c1-3-25(4-2)22-16-15-19(23(27)17-22)18-24-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,27H,3-4H2,1-2H3/b24-18+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N(c2ccccc2)c3ccccc3
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.
- 49676838#30498
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.961
- 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 · 22410656