Molecule card · MolClass #47207
17413130
17413130: 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
- 17413130Mitochondrial Fusion · compound_name
- MolClass ID
- 47207
- InChIKey
- GPKMCGRTGPAZPF-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc3NC(=O)C(=NN1C(=O)c2ccccc2(C1(=O)))c3c4Br
- Standard InChI
- InChI=1S/C17H10BrN3O3/c1-8-6-7-11-12(13(8)18)14(15(22)19-11)20-21-16(23)9-4-2-3-5-10(9)17(21)24/h2-7H,1H3,(H,19,20,22)
- Stored Murcko scaffold
- N(=C1[CH]Nc2ccccc12)n3cc4ccccc4c3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.184 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.344
- 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 · 17413130