Molecule card · MolClass #43565
24829827
24829827: 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
- 24829827Mitochondrial Fusion · compound_name
- MolClass ID
- 43565
- InChIKey
- XZRABPGQRVRQSO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N2CC(=O)C(=C2(N))c3ccccc3
- Standard InChI
- InChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)19-11-15(20)16(17(19)18)13-5-3-2-4-6-13/h2-10H,11,18H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C2=CN(c3ccccc3)C[CH]2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.87
- 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 · 24829827