Molecule card · MolClass #41990
7978298
7978298: 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
- 7978298Mitochondrial Fusion · compound_name
- MolClass ID
- 41990
- InChIKey
- DCIGSJPKACVERN-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(Cc2ccccc2(C(N)=C1(C#N)))
- Standard InChI
- InChI=1S/C13H14N2/c1-13(2)7-9-5-3-4-6-10(9)12(15)11(13)8-14/h3-6H,7,15H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)C=CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.509
- 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 · 7978298