Molecule card · MolClass #44447
4257299
4257299: 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
- 4257299Mitochondrial Fusion · compound_name
- MolClass ID
- 44447
- InChIKey
- OGAMZYSUDWPJEC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC1NC2CCCCC2(NC1(=O)))Nc3ccc4OCOc4(c3)
- Standard InChI
- InChI=1S/C17H21N3O4/c21-16(18-10-5-6-14-15(7-10)24-9-23-14)8-13-17(22)20-12-4-2-1-3-11(12)19-13/h5-7,11-13,19H,1-4,8-9H2,(H,18,21)(H,20,22)
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)N[CH]CC3[CH]NC4CCCCC4N3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.428
- 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 · 4257299