Molecule card · MolClass #45773
24790423
24790423: 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
- 24790423Mitochondrial Fusion · compound_name
- MolClass ID
- 45773
- InChIKey
- GDTVTHHTVHGYRO-WOJGMQOQSA-N
- Canonical SMILES
- CC(=O)n2c3ccccc3(c(O)c2(C=Nc1ccccc1))
- Standard InChI
- InChI=1S/C17H14N2O2/c1-12(20)19-15-10-6-5-9-14(15)17(21)16(19)11-18-13-7-3-2-4-8-13/h2-11,21H,1H3/b18-11+
- Stored Murcko scaffold
- N(=CC=1[N]c2ccccc2C1)c3ccccc3
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.
- 26658400#29620
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.832
- 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 · 24790423