Molecule card · MolClass #42720
24788510
24788510: 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
- 24788510Mitochondrial Fusion · compound_name
- MolClass ID
- 42720
- InChIKey
- AVILVKFORZYOBY-UHFFFAOYSA-N
- Canonical SMILES
- NC2=C(C(=O)CN2(NC(=O)c1ccc(cc1)Cl))c3ccccc3
- Standard InChI
- InChI=1S/C17H14ClN3O2/c18-13-8-6-12(7-9-13)17(23)20-21-10-14(22)15(16(21)19)11-4-2-1-3-5-11/h1-9H,10,19H2,(H,20,23)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NN2C=C([CH]C2)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.
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.766 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.141
- 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 · 24788510