Molecule card · MolClass #36193
14737872
14737872: 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
- 14737872Mitochondrial Fusion · compound_name
- MolClass ID
- 36193
- InChIKey
- IVWWDZVJBBHMPU-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2nn(c1cc(ccc1(OC))Cl)c3CC(C)(C)CC(=O)c23
- Standard InChI
- InChI=1S/C19H23ClN2O2/c1-5-6-13-18-15(10-19(2,3)11-16(18)23)22(21-13)14-9-12(20)7-8-17(14)24-4/h7-9H,5-6,10-11H2,1-4H3
- Stored Murcko scaffold
- n1cc2[CH]CCCc2n1-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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.852 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.969
- 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 · 14737872