Molecule card · MolClass #37478
24804863
24804863: 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
- 24804863Mitochondrial Fusion · compound_name
- MolClass ID
- 37478
- InChIKey
- HBDIJLRIZVJIHV-UHFFFAOYSA-N
- Canonical SMILES
- Fc1cccc(c1c3nnc2ccc(cn23)C(F)(F)F)Cl
- Standard InChI
- InChI=1S/C13H6ClF4N3/c14-8-2-1-3-9(15)11(8)12-20-19-10-5-4-7(6-21(10)12)13(16,17)18/h1-6H
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3ccccc13
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.654 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.433
- 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 · 24804863