Molecule card · MolClass #51598
14734647
14734647: 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
- 14734647Mitochondrial Fusion · compound_name
- MolClass ID
- 51598
- InChIKey
- YVICXQFAJZHCTB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c3nc(O)c4c2CCCCc2sc4(n3)
- Standard InChI
- InChI=1S/C15H16N4OS/c1-8-7-9(2)19(18-8)15-16-13(20)12-10-5-3-4-6-11(10)21-14(12)17-15/h7H,3-6H2,1-2H3,(H,16,17,20)
- Stored Murcko scaffold
- n1cc2c(nc1-n3nccc3)sc4c2CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.806
- 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 · 14734647