Molecule card · MolClass #35813
24811063
24811063: 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
- 24811063Mitochondrial Fusion · compound_name
- MolClass ID
- 35813
- InChIKey
- FFLINNROFJNWBV-WQRHYEAKSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)N4N=NN(C3CC(=NNC(N)=S)C2OCC3(O2))C4=S
- Standard InChI
- InChI=1S/C16H19N7O2S2/c1-8-3-9(2)5-10(4-8)22-16(27)23(21-20-22)12-6-11(18-19-15(17)26)14-24-7-13(12)25-14/h3-5,12-14H,6-7H2,1-2H3,(H3,17,19,26)/b18-11-
- Stored Murcko scaffold
- N1=NN([CH]N1c2ccccc2)C3C[CH]C4OCC3O4
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 164.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.501 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.627
- 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 · 24811063