Molecule card · MolClass #38564
14729353
14729353: 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
- 14729353Mitochondrial Fusion · compound_name
- MolClass ID
- 38564
- InChIKey
- JLURWWIDCQKEEU-UHFFFAOYSA-N
- Canonical SMILES
- CCc4cc3C(=O)NC2=C(C(=O)c1ccccc1Cl)c5ccccc5(CN2c3s4)
- Standard InChI
- InChI=1S/C23H17ClN2O2S/c1-2-14-11-17-22(28)25-21-19(20(27)16-9-5-6-10-18(16)24)15-8-4-3-7-13(15)12-26(21)23(17)29-14/h3-11H,2,12H2,1H3,(H,25,28)
- Stored Murcko scaffold
- s1ccc2[CH]NC3=C([CH]c4ccccc4)c5ccccc5CN3c12
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.
- 16952480#33411
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.913 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.917
- 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 · 14729353