Molecule card · MolClass #45343
848807
848807: 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
- 848807Mitochondrial Fusion · compound_name
- MolClass ID
- 45343
- InChIKey
- KXVAOSVMOONRFR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCN1NC(=O)c2ccccc2(C1(=O)))OC3CCCCC3
- Standard InChI
- InChI=1S/C17H20N2O4/c20-15(23-12-6-2-1-3-7-12)10-11-19-17(22)14-9-5-4-8-13(14)16(21)18-19/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,21)
- Stored Murcko scaffold
- O([CH]CCn1cc2ccccc2c[nH]1)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.012
- 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 · 848807