Molecule card · MolClass #41014
14728308
14728308: 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
- 14728308Mitochondrial Fusion · compound_name
- MolClass ID
- 41014
- InChIKey
- UFWOSOSCNQXBCY-VCHYOVAHSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=NN2C(C)=CC(C)=C(C#N)C2(=O)
- Standard InChI
- InChI=1S/C16H15N3O/c1-11-4-6-14(7-5-11)10-18-19-13(3)8-12(2)15(9-17)16(19)20/h4-8,10H,1-3H3/b18-10+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N2[CH]C=CC=C2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.054
- 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 · 14728308