Molecule card · MolClass #41595
17511524
17511524: 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
- 17511524Mitochondrial Fusion · compound_name
- MolClass ID
- 41595
- InChIKey
- UDMWEEXJFYRUKP-JLHYYAGUSA-N
- Canonical SMILES
- O=C3NC(=O)N(Cc1ccco1)C(=O)C3(=CNN2CCCCCC2)
- Standard InChI
- InChI=1S/C16H20N4O4/c21-14-13(10-17-19-7-3-1-2-4-8-19)15(22)20(16(23)18-14)11-12-6-5-9-24-12/h5-6,9-10,17H,1-4,7-8,11H2,(H,18,21,23)/b13-10+
- Stored Murcko scaffold
- o1cccc1CN2[CH]N[CH]C(=CNN3CCCCCC3)[CH]2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.368
- 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 · 17511524