Molecule card · MolClass #45189
17410502
17410502: 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
- 17410502Mitochondrial Fusion · compound_name
- MolClass ID
- 45189
- InChIKey
- NFVMKPIHLAAYOL-MDZDMXLPSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NC2=CC(C(C)=O)=C(C=CN(C)C)OC2(=O)
- Standard InChI
- InChI=1S/C19H20N2O4/c1-12-5-7-14(8-6-12)18(23)20-16-11-15(13(2)22)17(25-19(16)24)9-10-21(3)4/h5-11H,1-4H3,(H,20,23)/b10-9+
- Stored Murcko scaffold
- O1C=CC=C([CH]1)N[CH]c2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.181
- 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 · 17410502