Molecule card · MolClass #48196
851974
851974: 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
- 851974Mitochondrial Fusion · compound_name
- MolClass ID
- 48196
- InChIKey
- HDDVXYFNKOSEQL-UHFFFAOYSA-N
- Canonical SMILES
- NC(NC(=O)c1ccccc1)=C2C(=O)CCC2(=O)
- Standard InChI
- InChI=1S/C13H12N2O3/c14-12(11-9(16)6-7-10(11)17)15-13(18)8-4-2-1-3-5-8/h1-5H,6-7,14H2,(H,15,18)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC=C2[CH]CC[CH]2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.15
- 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 · 851974