Molecule card · MolClass #43029
7972250
7972250: 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
- 7972250Mitochondrial Fusion · compound_name
- MolClass ID
- 43029
- InChIKey
- QRNWSZQYLIEBMM-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(O)=C4C(C1)=Nc5ccccc5(NC4(c2ccc3OCOc3(c2))))
- Standard InChI
- InChI=1S/C22H22N2O3/c1-22(2)10-16-20(17(25)11-22)21(24-15-6-4-3-5-14(15)23-16)13-7-8-18-19(9-13)27-12-26-18/h3-9,21,24-25H,10-12H2,1-2H3
- Stored Murcko scaffold
- N=1c2ccccc2NC(c3ccc4OCOc4c3)C5=CCCCC15
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.306
- 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 · 7972250