Molecule card · MolClass #40114
24780973
24780973: 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
- 24780973Mitochondrial Fusion · compound_name
- MolClass ID
- 40114
- InChIKey
- CQZRFXNAGTXDIN-KNTRCKAVSA-N
- Canonical SMILES
- CC(C)C2=CC(=NC(=O)c1ccc(C)cc1)C(C)=CC2(=O)
- Standard InChI
- InChI=1S/C18H19NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-12(3)6-8-14/h5-11H,1-4H3/b19-16+
- Stored Murcko scaffold
- N([CH]c1ccccc1)=C2C=C[CH]C=C2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.571
- 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 · 24780973