Molecule card · MolClass #51001
17411367
17411367: 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
- 17411367Mitochondrial Fusion · compound_name
- MolClass ID
- 51001
- InChIKey
- KXQHIZGCDPQHSO-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c2ccccc2(C(=O)NNc1ccc(cc1)Cl)
- Standard InChI
- InChI=1S/C14H11ClN2O3/c15-9-5-7-10(8-6-9)16-17-13(18)11-3-1-2-4-12(11)14(19)20/h1-8,16H,(H,17,18)(H,19,20)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NNc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.702 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.606
- 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 · 17411367