Molecule card · MolClass #37830
24801437
24801437: 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
- 24801437Mitochondrial Fusion · compound_name
- MolClass ID
- 37830
- InChIKey
- QPKRPINCRBFHOG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(c(n2(Cc1ccc(cc1)Cl))SCC(O)CCl)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H15Cl2N3O3S/c1-9-17-13(19(21)22)14(23-8-12(20)6-15)18(9)7-10-2-4-11(16)5-3-10/h2-5,12,20H,6-8H2,1H3
- Stored Murcko scaffold
- n1ccn(c1)Cc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.26 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.989
- 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 · 24801437