Molecule card · MolClass #38314
22405192
22405192: 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
- 22405192Mitochondrial Fusion · compound_name
- MolClass ID
- 38314
- InChIKey
- POJOOMQWSOUDDP-UHFFFAOYSA-N
- Canonical SMILES
- Cc2occc2(C(=O)NNC1=CC(=O)CC(C)(C)C1)
- Standard InChI
- InChI=1S/C14H18N2O3/c1-9-12(4-5-19-9)13(18)16-15-10-6-11(17)8-14(2,3)7-10/h4-6,15H,7-8H2,1-3H3,(H,16,18)
- Stored Murcko scaffold
- o1ccc(c1)[CH]NNC2=C[CH]CCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.889
- 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 · 22405192