Molecule card · MolClass #42757
17407769
17407769: 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
- 17407769Mitochondrial Fusion · compound_name
- MolClass ID
- 42757
- InChIKey
- SYQGTTFAPGOSGL-UYRXBGFRSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)C=C2c3ccccc3(CC(C)(C)N2(C))
- Standard InChI
- InChI=1S/C21H23NO/c1-15-8-7-10-16(12-15)20(23)13-19-18-11-6-5-9-17(18)14-21(2,3)22(19)4/h5-13H,14H2,1-4H3/b19-13-
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C=C2NCCc3ccccc23
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.662
- 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 · 17407769