Molecule card · MolClass #43176
14739809
14739809: 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
- 14739809Mitochondrial Fusion · compound_name
- MolClass ID
- 43176
- InChIKey
- ISJIADUWSPBYFR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCc4ccc(c1ccccc1)n4(NC(=O)c3c(c2ccccc2s3)Cl)
- Standard InChI
- InChI=1S/C22H17ClN2O3S/c23-20-16-8-4-5-9-18(16)29-21(20)22(28)24-25-15(11-13-19(26)27)10-12-17(25)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,24,28)(H,26,27)
- Stored Murcko scaffold
- s1c([CH]Nn2cccc2-c3ccccc3)cc4ccccc14
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 424.902 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.311
- 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 · 14739809