Molecule card · MolClass #41384
14731970
14731970: 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
- 14731970Mitochondrial Fusion · compound_name
- MolClass ID
- 41384
- InChIKey
- JDUDSVPSWMPJND-VLGSPTGOSA-N
- Canonical SMILES
- C=CCSC(=NN2C=Nc1ccccc1C2(=O))N(CC)CC
- Standard InChI
- InChI=1S/C16H20N4OS/c1-4-11-22-16(19(5-2)6-3)18-20-12-17-14-10-8-7-9-13(14)15(20)21/h4,7-10,12H,1,5-6,11H2,2-3H3/b18-16-
- Stored Murcko scaffold
- n1cnc2ccccc2c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.687
- 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 · 14731970