Molecule card · MolClass #51706
14730801
14730801: 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
- 14730801Mitochondrial Fusion · compound_name
- MolClass ID
- 51706
- InChIKey
- PAPIOPHQCDRZNX-UHFFFAOYSA-N
- Canonical SMILES
- c5cc(c1csc2ncnc(c12)N3CCN(CC3)Cc4ccc(cc4)Cl)sc5
- Standard InChI
- InChI=1S/C21H19ClN4S2/c22-16-5-3-15(4-6-16)12-25-7-9-26(10-8-25)20-19-17(18-2-1-11-27-18)13-28-21(19)24-14-23-20/h1-6,11,13-14H,7-10,12H2
- Stored Murcko scaffold
- n1cnc(c2c1scc2-c3sccc3)N4CCN(Cc5ccccc5)CC4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 88.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 426.988 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.545
- 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 · 14730801