Molecule card · MolClass #46925
17407130
17407130: 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
- 17407130Mitochondrial Fusion · compound_name
- MolClass ID
- 46925
- InChIKey
- SBCMXNYFDTYMDB-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(CCc2nnc(n2(c1ccc(F)c(c1)Cl))S)c(C)c3[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H14ClFN6O2S/c1-8-14(23(24)25)9(2)21(20-8)6-5-13-18-19-15(26)22(13)10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,19,26)
- Stored Murcko scaffold
- n1nc(n(c1)-c2ccccc2)CCn3nccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.829 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.177
- 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 · 17407130