Molecule card · MolClass #37572
14743422
14743422: 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
- 14743422Mitochondrial Fusion · compound_name
- MolClass ID
- 37572
- InChIKey
- GEFMXKGETPFUHA-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CC=3OC(N)=C(C#N)C(C1CCCC=C1)C=3(C(=O)O2)
- Standard InChI
- InChI=1S/C16H16N2O3/c1-9-7-12-14(16(19)20-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h3,5,7,10,13H,2,4,6,18H2,1H3
- Stored Murcko scaffold
- O1C=CC=2OC=CC(C2[CH]1)C3C=CCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.494
- 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 · 14743422