Molecule card · MolClass #42899
22410746
22410746: 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
- 22410746Mitochondrial Fusion · compound_name
- MolClass ID
- 42899
- InChIKey
- UAABJNOMUGIGNW-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1C(=O)c2cnn(c2)C(=O)COc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C18H13ClN2O4/c19-13-5-7-14(8-6-13)25-11-17(23)21-10-12(9-20-21)18(24)15-3-1-2-4-16(15)22/h1-10,22H,11H2
- Stored Murcko scaffold
- n1cc([CH]c2ccccc2)cn1[CH]COc3ccccc3
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
- 4
- 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
- 81.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.76 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.875
- 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 · 22410746