Molecule card · MolClass #39538
17514595
17514595: 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
- 17514595Mitochondrial Fusion · compound_name
- MolClass ID
- 39538
- InChIKey
- NGADTXDJANFHPR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(NC(=O)CSC1=NN=C(C)C(=O)N1(N))c2(C)
- Standard InChI
- InChI=1S/C14H17N5O2S/c1-8-5-4-6-11(9(8)2)16-12(20)7-22-14-18-17-10(3)13(21)19(14)15/h4-6H,7,15H2,1-3H3,(H,16,20)
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]Nc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.511
- 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 · 17514595