Molecule card · MolClass #49811
24780447
24780447: 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
- 24780447Mitochondrial Fusion · compound_name
- MolClass ID
- 49811
- InChIKey
- PLGWJKQSGBMILH-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCN1C=CC(C=C1)=C2C(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C19H19NO2/c1-2-3-6-11-20-12-9-14(10-13-20)17-18(21)15-7-4-5-8-16(15)19(17)22/h4-5,7-10,12-13H,2-3,6,11H2,1H3
- Stored Murcko scaffold
- c1ccc2[CH]C([CH]c2c1)=C3C=CNC=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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.236
- 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 · 24780447