Molecule card · MolClass #42526
24811395
24811395: 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
- 24811395Mitochondrial Fusion · compound_name
- MolClass ID
- 42526
- InChIKey
- BPFFHKLAWWUZIM-RGEXLXHISA-N
- Canonical SMILES
- O=C(NN=C3C2CC1CC3(CC(C1)(C2)Cl))c4ccccn4
- Standard InChI
- InChI=1S/C16H18ClN3O/c17-16-7-10-5-11(8-16)14(12(6-10)9-16)19-20-15(21)13-3-1-2-4-18-13/h1-4,10-12H,5-9H2,(H,20,21)/b19-14-
- Stored Murcko scaffold
- n1ccccc1[CH]NN=C2C3CC4CC2CC(C3)C4
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
- 4
- 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
- 54.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.787 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.701
- 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 · 24811395