Molecule card · MolClass #45952
24788090
24788090: 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
- 24788090Mitochondrial Fusion · compound_name
- MolClass ID
- 45952
- InChIKey
- ZCNBEMPEAZZCTP-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(cc(c1)n2cnnn2)NC(=O)CCCl
- Standard InChI
- InChI=1S/C11H12ClN5O2/c1-19-10-5-8(14-11(18)2-3-12)4-9(6-10)17-7-13-15-16-17/h4-7H,2-3H2,1H3,(H,14,18)
- Stored Murcko scaffold
- n1ncn(n1)-c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.699 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.54
- 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 · 24788090