Molecule card · MolClass #50915
17415388
17415388: 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
- 17415388Mitochondrial Fusion · compound_name
- MolClass ID
- 50915
- InChIKey
- FFQMMDYHFSGRDV-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(NC=2C(=O)N(C1CCCCC1)C(=O)C=2Cl)
- Standard InChI
- InChI=1S/C17H19ClN2O3/c1-23-13-10-6-5-9-12(13)19-15-14(18)16(21)20(17(15)22)11-7-3-2-4-8-11/h5-6,9-11,19H,2-4,7-8H2,1H3
- 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.
- 17512493#50469
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.798 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.752
- 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 · 17415388