Molecule card · MolClass #43709
14742083
14742083: 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
- 14742083Mitochondrial Fusion · compound_name
- MolClass ID
- 43709
- InChIKey
- AWIISZGNLGRGGZ-FMIVXFBMSA-N
- Canonical SMILES
- CC(Cc1ccccc1)NC=C2CC(=O)NC2(=O)
- Standard InChI
- InChI=1S/C14H16N2O2/c1-10(7-11-5-3-2-4-6-11)15-9-12-8-13(17)16-14(12)18/h2-6,9-10,15H,7-8H2,1H3,(H,16,17,18)/b12-9+
- Stored Murcko scaffold
- c1ccc(cc1)CCNC=C2[CH]N[CH]C2
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.
- 7974857#43270
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
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.806
- 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 · 14742083