Molecule card · MolClass #38479
17411036
17411036: 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
- 17411036Mitochondrial Fusion · compound_name
- MolClass ID
- 38479
- InChIKey
- DBJFQRXFABBYJM-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1cc(cnc1(O))c2cccc(c2)Cl
- Standard InChI
- InChI=1S/C12H7ClN2O/c13-11-3-1-2-8(5-11)10-4-9(6-14)12(16)15-7-10/h1-5,7H,(H,15,16)
- Stored Murcko scaffold
- n1cccc(c1)-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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.65 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.377
- 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 · 17411036