Molecule card · MolClass #51156
17403302
17403302: 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
- 17403302Mitochondrial Fusion · compound_name
- MolClass ID
- 51156
- InChIKey
- FJHLQDJTNXOMIY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c5ncccc5(OC(=O)C34(CC2CC(CC(C2)C3)C4))
- Standard InChI
- InChI=1S/C23H25NO2/c1-15-4-6-19(7-5-15)21-20(3-2-8-24-21)26-22(25)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-8,16-18H,9-14H2,1H3
- Stored Murcko scaffold
- n1cccc(O[CH]C23CC4CC(CC(C4)C2)C3)c1-c5ccccc5
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.979
- 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 · 17403302