Molecule card · MolClass #39724
14732672
14732672: 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
- 14732672Mitochondrial Fusion · compound_name
- MolClass ID
- 39724
- InChIKey
- KTEPDAONDWUZHQ-HMMYKYKNSA-N
- Canonical SMILES
- Cc1cccc(c1)N=C3C(NC(=O)c2ccccc2)OC(O)=C3Cl
- Standard InChI
- InChI=1S/C18H15ClN2O3/c1-11-6-5-9-13(10-11)20-15-14(19)18(23)24-17(15)21-16(22)12-7-3-2-4-8-12/h2-10,17,23H,1H3,(H,21,22)/b20-15+
- Stored Murcko scaffold
- N(c1ccccc1)=C2C=COC2N[CH]c3ccccc3
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
- 5
- 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
- 70.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.777 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.135
- 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 · 14732672