Molecule card · MolClass #37104
17510205
17510205: 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
- 17510205Mitochondrial Fusion · compound_name
- MolClass ID
- 37104
- InChIKey
- BSKZHVIFJRTRSI-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3N=C(CC(c1ccccc1)n3(n2))c4ccc(cc4)Br
- Standard InChI
- InChI=1S/C19H16BrN3/c1-13-11-19-21-17(14-7-9-16(20)10-8-14)12-18(23(19)22-13)15-5-3-2-4-6-15/h2-11,18H,12H2,1H3
- Stored Murcko scaffold
- n1ccc2N=C(c3ccccc3)CC(c4ccccc4)n12
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.1
- 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 · 17510205