Molecule card · MolClass #40868
3711388
3711388: 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
- 3711388Mitochondrial Fusion · compound_name
- MolClass ID
- 40868
- InChIKey
- SACCNDZQNYUJGM-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=O)N2c3ccccc3(C=CC2(=C1(C#N)))
- Standard InChI
- InChI=1S/C15H10N2O/c1-10-8-15(18)17-13-5-3-2-4-11(13)6-7-14(17)12(10)9-16/h2-8H,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)C=CC3=CC=C[CH]N32
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.831
- 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 · 3711388