Molecule card · MolClass #36920
24802797
24802797: 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
- 24802797Mitochondrial Fusion · compound_name
- MolClass ID
- 36920
- InChIKey
- DUCKEMVBRGEQAK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c2nc(c(cc12)C3NC(=O)c4ccccc4(N3))Cl
- Standard InChI
- InChI=1S/C19H16ClN3O/c1-10-7-8-11(2)16-13(10)9-14(17(20)22-16)18-21-15-6-4-3-5-12(15)19(24)23-18/h3-9,18,21H,1-2H3,(H,23,24)
- Stored Murcko scaffold
- n1cc(cc2ccccc12)C3N[CH]c4ccccc4N3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.803 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.29
- 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 · 24802797