Molecule card · MolClass #39717
24820836
24820836: 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
- 24820836Mitochondrial Fusion · compound_name
- MolClass ID
- 39717
- InChIKey
- USAUVIUURZABHW-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1cccnc1N(c2ccccc2)N4(Cc3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C19H14ClN3O/c20-15-10-8-14(9-11-15)13-22-19(24)17-7-4-12-21-18(17)23(22)16-5-2-1-3-6-16/h1-12H,13H2
- Stored Murcko scaffold
- n1cccc2[CH]N(N(c3ccccc3)c12)Cc4ccccc4
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.
- 1168349#18350
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.788 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.249
- 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 · 24820836