Molecule card · MolClass #39336
14727697
14727697: 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
- 14727697Mitochondrial Fusion · compound_name
- MolClass ID
- 39336
- InChIKey
- POZPFMJTVHRJFL-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(C(C)c2nnc(n2(c1cccc(c1)Cl))S)c(C)c3[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H15ClN6O2S/c1-8-13(22(23)24)9(2)21(19-8)10(3)14-17-18-15(25)20(14)12-6-4-5-11(16)7-12/h4-7,10H,1-3H3,(H,18,25)
- Stored Murcko scaffold
- n1nc(n(c1)-c2ccccc2)Cn3nccc3
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
- 3
- 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
- 130.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 378.838 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.384
- 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 · 14727697