Molecule card · MolClass #45584
24826604
24826604: 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
- 24826604Mitochondrial Fusion · compound_name
- MolClass ID
- 45584
- InChIKey
- ZUFVINSECKEYQX-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C(O)(c1ccccc12)c3nnc(o3)c4ccccc4
- Standard InChI
- InChI=1S/C17H13N3O3/c1-20-13-10-6-5-9-12(13)17(22,16(20)21)15-19-18-14(23-15)11-7-3-2-4-8-11/h2-10,22H,1H3
- Stored Murcko scaffold
- n1nc(oc1-c2ccccc2)C3[CH][N]c4ccccc43
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.21
- 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 · 24826604