Molecule card · MolClass #40199
24829274
24829274: 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
- 24829274Mitochondrial Fusion · compound_name
- MolClass ID
- 40199
- InChIKey
- DYRRYBZYMDJVTR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(nc(C)c1(C))SCC(=O)Nc2cccnc2Cl
- Standard InChI
- InChI=1S/C14H15ClN4OS/c1-8-9(2)17-14(18-10(8)3)21-7-12(20)19-11-5-4-6-16-13(11)15/h4-6H,7H2,1-3H3,(H,19,20)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]CSc2ncccn2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.815 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.348
- 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 · 24829274