Molecule card · MolClass #44193
24818960
24818960: 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
- 24818960Mitochondrial Fusion · compound_name
- MolClass ID
- 44193
- InChIKey
- NOSVLFQYPFIEIB-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(CCN2C=CC(O)=C(Cc1ccc(cc1)Cl)C2(=O))cc3(OC)
- Standard InChI
- InChI=1S/C22H22ClNO4/c1-27-20-8-5-16(14-21(20)28-2)9-11-24-12-10-19(25)18(22(24)26)13-15-3-6-17(23)7-4-15/h3-8,10,12,14,25H,9,11,13H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CC2=CC=CN([CH]2)CCc3ccccc3
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.
- 24818625#44914
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.868 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.71
- 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 · 24818960