Molecule card · MolClass #35768
7965200
7965200: 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
- 7965200Mitochondrial Fusion · compound_name
- MolClass ID
- 35768
- InChIKey
- DLCMBNAFGZEYEW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(O)nc(n1)SCC2=CC(=O)N3N=C(C)SC3(=N2)
- Standard InChI
- InChI=1S/C12H11N5O2S2/c1-6-3-9(18)15-11(13-6)20-5-8-4-10(19)17-12(14-8)21-7(2)16-17/h3-4H,5H2,1-2H3,(H,13,15,18)
- Stored Murcko scaffold
- n1cccnc1SCC=2N=C3SC=NN3[CH]C2
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.
- 14738378#36296
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 141.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.381 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.859
- 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 · 7965200