Molecule card · MolClass #42842
7968804
7968804: 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
- 7968804Mitochondrial Fusion · compound_name
- MolClass ID
- 42842
- InChIKey
- OWDMVSBDZFKESW-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)C3N4CCCC4(C(=O)N3(c2ccc(F)cc2))
- Standard InChI
- InChI=1S/C20H21FN2O2/c1-2-25-17-11-5-14(6-12-17)19-22-13-3-4-18(22)20(24)23(19)16-9-7-15(21)8-10-16/h5-12,18-19H,2-4,13H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3N(CCC3)C2c4ccccc4
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 32.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.791
- 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 · 7968804