Molecule card · MolClass #47979
24807593
24807593: 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
- 24807593Mitochondrial Fusion · compound_name
- MolClass ID
- 47979
- InChIKey
- JDWMTXGINVSHEU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(F)c(F)c(C(=O)N1C(C)CCCC1(C))c2Cl
- Standard InChI
- InChI=1S/C15H18ClF2NO/c1-8-7-11(17)14(18)12(13(8)16)15(20)19-9(2)5-4-6-10(19)3/h7,9-10H,4-6H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)[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.
- 1441687#13709
- 4857#23182
- ZINC20777778#23828
- 4254786#35410
- 842344#52539
- CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl#154998
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
- 301.76 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.523
- 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 · 24807593