Molecule card · MolClass #52207
4241705
4241705: 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
- 4241705Mitochondrial Fusion · compound_name
- MolClass ID
- 52207
- InChIKey
- GDWKPMUEBXJFQK-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=O)C1CC(=O)N(C1)c2ccc(F)c(c2)Cl
- Standard InChI
- InChI=1S/C15H18ClFN2O2/c1-3-18(4-2)15(21)10-7-14(20)19(9-10)11-5-6-13(17)12(16)8-11/h5-6,8,10H,3-4,7,9H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]CCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.768 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.009
- 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 · 4241705