Molecule card · MolClass #37996
24827384
24827384: 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
- 24827384Mitochondrial Fusion · compound_name
- MolClass ID
- 37996
- InChIKey
- WBWKMDFHHUOQLV-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CC(=C(C#N)C#N)c1ccccc1N2(C)
- Standard InChI
- InChI=1S/C14H11N3/c1-10-7-13(11(8-15)9-16)12-5-3-4-6-14(12)17(10)2/h3-7H,1-2H3
- Stored Murcko scaffold
- c1ccc2NC=C[CH]c2c1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.269
- 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 · 24827384