Molecule card · MolClass #36634
24810654
24810654: 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
- 24810654Mitochondrial Fusion · compound_name
- MolClass ID
- 36634
- InChIKey
- YXLYRMLCEAYECT-JYRVWZFOSA-N
- Canonical SMILES
- Cc1ccc2OC(=O)C(C=C(O)C(C)(C)C)=Nc2(c1)
- Standard InChI
- InChI=1S/C15H17NO3/c1-9-5-6-12-10(7-9)16-11(14(18)19-12)8-13(17)15(2,3)4/h5-8,17H,1-4H3/b13-8-
- Stored Murcko scaffold
- N1=C[CH]Oc2ccccc12
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
- 58.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.432
- 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 · 24810654