Molecule card · MolClass #41922
860350
860350: 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
- 860350Mitochondrial Fusion · compound_name
- MolClass ID
- 41922
- InChIKey
- TVJLPFJHWBJWBX-UHFFFAOYSA-N
- Canonical SMILES
- Oc2ccc(cc2(CNn1cnnc1))Br
- Standard InChI
- InChI=1S/C9H9BrN4O/c10-8-1-2-9(15)7(3-8)4-13-14-5-11-12-6-14/h1-3,5-6,13,15H,4H2
- Stored Murcko scaffold
- n1ncn(c1)NCc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.098 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.888
- 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 · 860350