Molecule card · MolClass #37058
14737452
14737452: 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
- 14737452Mitochondrial Fusion · compound_name
- MolClass ID
- 37058
- InChIKey
- SEZNDJQIVBIZFH-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(ccc1C3NC(=NC=4C2CCN(CC2)C3=4)S)Br
- Standard InChI
- InChI=1S/C15H16BrN3S/c16-11-3-1-9(2-4-11)12-14-13(18-15(20)17-12)10-5-7-19(14)8-6-10/h1-4,10,12H,5-8H2,(H2,17,18,20)
- Stored Murcko scaffold
- N1=CNC(c2ccccc2)C3=C1C4CCN3CC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.373
- 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 · 14737452