Molecule card · MolClass #35552
24810647
24810647: 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
- 24810647Mitochondrial Fusion · compound_name
- MolClass ID
- 35552
- InChIKey
- SKBCVZRMNXYPFI-UHFFFAOYSA-N
- Canonical SMILES
- CC=1N=C2N(C=NN2(C(=O)C=1Br))COCCO
- Standard InChI
- InChI=1S/C9H11BrN4O3/c1-6-7(10)8(16)14-9(12-6)13(4-11-14)5-17-3-2-15/h4,15H,2-3,5H2,1H3
- Stored Murcko scaffold
- N=1C=C[CH]N2N=CNC12
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.113 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.769
- 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 · 24810647