Molecule card · MolClass #47210
4257120
4257120: 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
- 4257120Mitochondrial Fusion · compound_name
- MolClass ID
- 47210
- InChIKey
- QUISHNVKUJOYAE-MNDPQUGUSA-N
- Canonical SMILES
- CCn2c3ccccc3(nc2(C(C#N)=C(O)CCc1ccccc1))
- Standard InChI
- InChI=1S/C20H19N3O/c1-2-23-18-11-7-6-10-17(18)22-20(23)16(14-21)19(24)13-12-15-8-4-3-5-9-15/h3-11,24H,2,12-13H2,1H3/b19-16-
- Stored Murcko scaffold
- n1c(C=CCCc2ccccc2)[nH]c3ccccc13
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.81
- 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 · 4257120