Molecule card · MolClass #38634
24795155
24795155: 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
- 24795155Mitochondrial Fusion · compound_name
- MolClass ID
- 38634
- InChIKey
- NZBXHALXPBQXKU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c(OCCCON1C(=O)CCC1(=O))c(c2)Br
- Standard InChI
- InChI=1S/C15H18BrNO4/c1-10-8-11(2)15(12(16)9-10)20-6-3-7-21-17-13(18)4-5-14(17)19/h8-9H,3-7H2,1-2H3
- Stored Murcko scaffold
- O(c1ccccc1)CCCON2[CH]CC[CH]2
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.
- 14736564#44725
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.627
- 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 · 24795155