Molecule card · MolClass #46533
14730920
14730920: 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
- 14730920Mitochondrial Fusion · compound_name
- MolClass ID
- 46533
- InChIKey
- FVJCTUJDQHORGG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)C4(C)(C3c5cc(ccc5(OC(=O)C34(C(=O)c2ccco2)))Br)
- Standard InChI
- InChI=1S/C24H17BrO5/c1-13-5-7-14(8-6-13)20(26)23(2)19-16-12-15(25)9-10-17(16)30-22(28)24(19,23)21(27)18-4-3-11-29-18/h3-12,19H,1-2H3
- Stored Murcko scaffold
- o1cccc1[CH]C23[CH]Oc4ccccc4C3C2[CH]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.
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 465.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.096
- 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 · 14730920