Molecule card · MolClass #43064
14721542
14721542: 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
- 14721542Mitochondrial Fusion · compound_name
- MolClass ID
- 43064
- InChIKey
- AAGWFTBKDXQEOP-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc3N=C1CC(C)(C)CC(O)=C1C4c5ccccc5(C(=O)N4(c3(c2)))
- Standard InChI
- InChI=1S/C23H22N2O2/c1-13-8-9-16-18(10-13)25-21(14-6-4-5-7-15(14)22(25)27)20-17(24-16)11-23(2,3)12-19(20)26/h4-10,21,26H,11-12H2,1-3H3
- Stored Murcko scaffold
- N=1c2ccccc2N3[CH]c4ccccc4C3C5=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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.699
- 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 · 14721542