Molecule card · MolClass #44648
7973134
7973134: 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
- 7973134Mitochondrial Fusion · compound_name
- MolClass ID
- 44648
- InChIKey
- LIXZVRCNFSNMKO-VIZOYTHASA-N
- Canonical SMILES
- COc2ccc(CN=CC1=C(O)CNC1(=O))cc2(OC)
- Standard InChI
- InChI=1S/C14H16N2O4/c1-19-12-4-3-9(5-13(12)20-2)6-15-7-10-11(17)8-16-14(10)18/h3-5,7,17H,6,8H2,1-2H3,(H,16,18)/b15-7+
- Stored Murcko scaffold
- N(=CC=1[CH]NCC1)Cc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.54
- 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 · 7973134