Molecule card · MolClass #49688
24786766
24786766: 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
- 24786766Mitochondrial Fusion · compound_name
- MolClass ID
- 49688
- InChIKey
- YGECTRZNKKYOAY-UHFFFAOYSA-N
- Canonical SMILES
- N=C1C=CN(C=C1)CC(=O)c2ccc(cc2)c3ccccc3
- Standard InChI
- InChI=1S/C19H16N2O/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20H,14H2
- Stored Murcko scaffold
- c1ccc(cc1)-c2ccc(cc2)[CH]CN3C=C[CH]C=C3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.444
- 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 · 24786766