Molecule card · MolClass #51290
17386663
17386663: 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
- 17386663Mitochondrial Fusion · compound_name
- MolClass ID
- 51290
- InChIKey
- DWDWEGGEKMILES-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N3C(N)=C(C#N)C(c2ccccc2)=C(C#N)C3(=O)
- Standard InChI
- InChI=1S/C20H14N4O/c1-13-7-9-15(10-8-13)24-19(23)16(11-21)18(17(12-22)20(24)25)14-5-3-2-4-6-14/h2-10H,23H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C2=C[CH]N(C=C2)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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.847
- 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 · 17386663