Molecule card · MolClass #40412
14743755
14743755: 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
- 14743755Mitochondrial Fusion · compound_name
- MolClass ID
- 40412
- InChIKey
- ZVIHKTWPYXELIR-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(Cc3cccc(OCC(=O)Nc1cccnc1Cl)c3(O2))
- Standard InChI
- InChI=1S/C17H17ClN2O3/c1-17(2)9-11-5-3-7-13(15(11)23-17)22-10-14(21)20-12-6-4-8-19-16(12)18/h3-8H,9-10H2,1-2H3,(H,20,21)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]COc2cccc3c2OCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.782 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.504
- 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 · 14743755