Molecule card · MolClass #44171
3713570
3713570: 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
- 3713570Mitochondrial Fusion · compound_name
- MolClass ID
- 44171
- InChIKey
- IZAUBEVAZWVVJV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cnc(cn1)C(=O)OCC(=O)N2c3ccccc3(NC(=O)C2(C)(C))
- Standard InChI
- InChI=1S/C18H18N4O4/c1-11-8-20-13(9-19-11)16(24)26-10-15(23)22-14-7-5-4-6-12(14)21-17(25)18(22,2)3/h4-9H,10H2,1-3H3,(H,21,25)
- Stored Murcko scaffold
- n1ccnc(c1)[CH]OC[CH]N2c3ccccc3N[CH]C2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.09
- 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 · 3713570