Molecule card · MolClass #42321
14721545
14721545: 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
- 14721545Mitochondrial Fusion · compound_name
- MolClass ID
- 42321
- InChIKey
- BWKJTRCPBASRJS-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=O)Oc2c3CCCN4CCOc(cc12)c34
- Standard InChI
- InChI=1S/C15H15NO3/c1-9-7-13(17)19-15-10-3-2-4-16-5-6-18-12(14(10)16)8-11(9)15/h7-8H,2-6H2,1H3
- Stored Murcko scaffold
- O1[CH]C=Cc2cc3OCCN4c3c(c12)CCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.404
- 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 · 14721545