Molecule card · MolClass #51968
7975028
7975028: 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
- 7975028Mitochondrial Fusion · compound_name
- MolClass ID
- 51968
- InChIKey
- ZQEHBOYABWJKBO-XNTDXEJSSA-N
- Canonical SMILES
- ON=C(C(=O)c1ccc(cc1Br)Br)n2cncn2
- Standard InChI
- InChI=1S/C10H6Br2N4O2/c11-6-1-2-7(8(12)3-6)9(17)10(15-18)16-5-13-4-14-16/h1-5,18H/b15-10+
- Stored Murcko scaffold
- n1cnn(c1)[CH][CH]c2ccccc2
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.
- 24817616#48176
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.988 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.78
- 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 · 7975028