Molecule card · MolClass #36296
14738378
14738378: 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
- 14738378Mitochondrial Fusion · compound_name
- MolClass ID
- 36296
- InChIKey
- OONQPWYVAKUMGG-UHFFFAOYSA-N
- Canonical SMILES
- CCC3=NN2C(=O)C=C(CSc1nc(C)cc(O)n1)N=C2S3
- Standard InChI
- InChI=1S/C13H13N5O2S2/c1-3-10-17-18-11(20)5-8(15-13(18)22-10)6-21-12-14-7(2)4-9(19)16-12/h4-5H,3,6H2,1-2H3,(H,14,16,19)
- 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.
- 7965200#35768
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 141.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.112
- 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 · 14738378