Molecule card · MolClass #39295
14744142
14744142: 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
- 14744142Mitochondrial Fusion · compound_name
- MolClass ID
- 39295
- InChIKey
- UCZRDCLZOKSCSG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCc2c(C1)sc3ncnc(c23)n5cnc4cc(C)c(C)cc45
- Standard InChI
- InChI=1S/C20H20N4S/c1-11-4-5-14-17(6-11)25-20-18(14)19(21-9-22-20)24-10-23-15-7-12(2)13(3)8-16(15)24/h7-11H,4-6H2,1-3H3
- Stored Murcko scaffold
- n1cnc(c2c1sc3c2CCCC3)-n4cnc5ccccc54
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.
- 14745901#38393
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.466 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.473
- 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 · 14744142