Molecule card · MolClass #36343
7966767
7966767: 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
- 7966767Mitochondrial Fusion · compound_name
- MolClass ID
- 36343
- InChIKey
- KFKULNKNFDKXDF-UHFFFAOYSA-N
- Canonical SMILES
- OC=3CCCC4=Nc1nc(nn1C(c2cccc(c2)Br)C=34)c5ccco5
- Standard InChI
- InChI=1S/C19H15BrN4O2/c20-12-5-1-4-11(10-12)17-16-13(6-2-7-14(16)25)21-19-22-18(23-24(17)19)15-8-3-9-26-15/h1,3-5,8-10,17,25H,2,6-7H2
- Stored Murcko scaffold
- n1c(nn2c1N=C3C(=CCCC3)C2c4ccccc4)-c5occc5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 411.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.241
- 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 · 7966767