Molecule card · MolClass #38528
7965119
7965119: 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
- 7965119Mitochondrial Fusion · compound_name
- MolClass ID
- 38528
- InChIKey
- FXCLQIURDFYUFQ-UHFFFAOYSA-N
- Canonical SMILES
- Nc2nc3NC(CC(c1cccc(c1)Br)n3(n2))c4ccc(F)cc4
- Standard InChI
- InChI=1S/C17H15BrFN5/c18-12-3-1-2-11(8-12)15-9-14(10-4-6-13(19)7-5-10)21-17-22-16(20)23-24(15)17/h1-8,14-15H,9H2,(H3,20,21,22,23)
- Stored Murcko scaffold
- n1cnn2c1NC(c3ccccc3)CC2c4ccccc4
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.
View all molecules with this scaffold →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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.237 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.341
- 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 · 7965119