Molecule card · MolClass #50469
17512493
17512493: 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
- 17512493Mitochondrial Fusion · compound_name
- MolClass ID
- 50469
- InChIKey
- KONUSDNJTXWEAG-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(NC=2C(=O)N(C1CCCCC1)C(=O)C=2Cl)
- Standard InChI
- InChI=1S/C17H19ClN2O2/c1-11-7-5-6-10-13(11)19-15-14(18)16(21)20(17(15)22)12-8-3-2-4-9-12/h5-7,10,12,19H,2-4,8-9H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)Nc2ccn(c2)C3CCCCC3
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.
- 17415388#50915
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.799 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.063
- 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 · 17512493