Molecule card · MolClass #39532
17432317
17432317: 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
- 17432317Mitochondrial Fusion · compound_name
- MolClass ID
- 39532
- InChIKey
- BHWFXNIPQMTLOV-UHFFFAOYSA-N
- Canonical SMILES
- CN(NC2CC(=O)N(c1ccccc1)C2(=O))c3ccccc3
- Standard InChI
- InChI=1S/C17H17N3O2/c1-19(13-8-4-2-5-9-13)18-15-12-16(21)20(17(15)22)14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)NNC2[CH]N([CH]C2)c3ccccc3
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
- 5
- 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
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.457
- 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 · 17432317