Molecule card · MolClass #49885
22415128
22415128: 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
- 22415128Mitochondrial Fusion · compound_name
- MolClass ID
- 49885
- InChIKey
- WYTQQQWQTMETPB-JXMROGBWSA-N
- Canonical SMILES
- CC1CCN(CC1)C(=O)C=Cc2ccc(cc2)C(C)(C)C
- Standard InChI
- InChI=1S/C19H27NO/c1-15-11-13-20(14-12-15)18(21)10-7-16-5-8-17(9-6-16)19(2,3)4/h5-10,15H,11-14H2,1-4H3/b10-7+
- Stored Murcko scaffold
- c1ccc(cc1)C=C[CH]N2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.03
- 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 · 22415128