Molecule card · MolClass #46964
4247398
4247398: 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
- 4247398Mitochondrial Fusion · compound_name
- MolClass ID
- 46964
- InChIKey
- GCWFBNYYHBVDKG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(C)c(C(=O)NCCCN1CCCC1(=O))c(C)n2(CC)
- Standard InChI
- InChI=1S/C19H29N3O4/c1-5-22-14(4)16(13(3)17(22)19(25)26-6-2)18(24)20-10-8-12-21-11-7-9-15(21)23/h5-12H2,1-4H3,(H,20,24)
- Stored Murcko scaffold
- c1cc(c[nH]1)[CH]NCCCN2[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.636
- 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 · 4247398