Molecule card · MolClass #51484
14741434
14741434: 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
- 14741434Mitochondrial Fusion · compound_name
- MolClass ID
- 51484
- InChIKey
- NBPAGOGMLPPIFY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c4c1cc(OC)c(cc1n(c2ccccc2)c4(CN3CCOCC3))Br
- Standard InChI
- InChI=1S/C23H25BrN2O4/c1-3-30-23(27)22-17-13-21(28-2)18(24)14-19(17)26(16-7-5-4-6-8-16)20(22)15-25-9-11-29-12-10-25/h4-8,13-14H,3,9-12,15H2,1-2H3
- Stored Murcko scaffold
- O1CCN(Cc2cc3ccccc3n2-c4ccccc4)CC1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 473.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.396
- 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 · 14741434