Molecule card · MolClass #38914
4250764
4250764: 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
- 4250764Mitochondrial Fusion · compound_name
- MolClass ID
- 38914
- InChIKey
- NDSROSRIHKGKBP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c2nnc(C)n2(NS(C)(=O)=O)
- Standard InChI
- InChI=1S/C9H14N6O2S/c1-6-5-7(2)14(12-6)9-11-10-8(3)15(9)13-18(4,16)17/h5,13H,1-4H3
- Stored Murcko scaffold
- n1nc([nH]c1)-n2nccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.666
- 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 · 4250764