Molecule card · MolClass #41770
24800218
24800218: 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
- 24800218Mitochondrial Fusion · compound_name
- MolClass ID
- 41770
- InChIKey
- BMRSBZCIOOURIK-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC(=C)C)C(=O)CC2C(=O)NCCN2(Cc1c(F)cccc1Cl)
- Standard InChI
- InChI=1S/C19H25ClFN3O2/c1-4-23(11-13(2)3)18(25)10-17-19(26)22-8-9-24(17)12-14-15(20)6-5-7-16(14)21/h5-7,17H,2,4,8-12H2,1,3H3,(H,22,26)
- Stored Murcko scaffold
- c1ccc(cc1)CN2C[CH]NCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.873 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.982
- 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 · 24800218