Molecule card · MolClass #46079
17386319
17386319: 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
- 17386319Mitochondrial Fusion · compound_name
- MolClass ID
- 46079
- InChIKey
- UEBBGXDEQGNQRK-MDWZMJQESA-N
- Canonical SMILES
- CC2C(=Cc1ccc(cc1)Cl)C(=O)C3CC2C3(C)(C)
- Standard InChI
- InChI=1S/C17H19ClO/c1-10-13(8-11-4-6-12(18)7-5-11)16(19)15-9-14(10)17(15,2)3/h4-8,10,14-15H,9H2,1-3H3/b13-8+
- Stored Murcko scaffold
- c1ccc(cc1)C=C2[CH]C3CC(C2)C3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.786 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.861
- 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 · 17386319