Molecule card · MolClass #40508
24789695
24789695: 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
- 24789695Mitochondrial Fusion · compound_name
- MolClass ID
- 40508
- InChIKey
- ZJZQGBLVASUQJJ-UHFFFAOYSA-N
- Canonical SMILES
- CC=2CC(O)(c1cccnc1)N(N=2)C(=O)COc3ccccc3
- Standard InChI
- InChI=1S/C17H17N3O3/c1-13-10-17(22,14-6-5-9-18-11-14)20(19-13)16(21)12-23-15-7-3-2-4-8-15/h2-9,11,22H,10,12H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2N(N=CC2)[CH]COc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.762
- 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 · 24789695