Molecule card · MolClass #40167
14722306
14722306: 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
- 14722306Mitochondrial Fusion · compound_name
- MolClass ID
- 40167
- InChIKey
- PZAZUDAZSZHGCY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)SC(C(=C2NCCN2)[N+](=O)[O-])=C(Cl)Cl
- Standard InChI
- InChI=1S/C13H13Cl2N3O2S/c1-8-2-4-9(5-3-8)21-11(12(14)15)10(18(19)20)13-16-6-7-17-13/h2-5,16-17H,6-7H2,1H3
- Stored Murcko scaffold
- S([CH]C=C1NCCN1)c2ccccc2
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.
- 14722313#31403
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 92.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.368
- 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 · 14722306