Molecule card · MolClass #51472
14741754
14741754: 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
- 14741754Mitochondrial Fusion · compound_name
- MolClass ID
- 51472
- InChIKey
- MDZBIMPYXZWHLK-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(CCC23(N=NCC2(c1ccc(cc1)Br)))
- Standard InChI
- InChI=1S/C18H15BrN2O/c19-14-7-5-13(6-8-14)16-11-20-21-18(16)10-9-12-3-1-2-4-15(12)17(18)22/h1-8,16H,9-11H2
- Stored Murcko scaffold
- N1=NC2([CH]c3ccccc3CC2)C(c4ccccc4)C1
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.
- 14740726#27214
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.229 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.523
- 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 · 14741754