Molecule card · MolClass #40850
14743594
14743594: 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
- 14743594Mitochondrial Fusion · compound_name
- MolClass ID
- 40850
- InChIKey
- WEXJHDPBRVCLJX-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCCC2(C1)(NC(N(N2)c3ccccc3)=S)
- Standard InChI
- InChI=1S/C14H19N3S/c1-11-6-5-9-14(10-11)15-13(18)17(16-14)12-7-3-2-4-8-12/h2-4,7-8,11,16H,5-6,9-10H2,1H3,(H,15,18)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]NC3(N2)CCCCC3
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.
- 24780405#26090
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.893
- 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 · 14743594