Molecule card · MolClass #38423
24824039
24824039: 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
- 24824039Mitochondrial Fusion · compound_name
- MolClass ID
- 38423
- InChIKey
- YRHNPRMWPRQSAB-UHFFFAOYSA-N
- Canonical SMILES
- CCSc3nnc(NC(=O)CSC2=NN1CCCC(=O)N=C1S2)s3
- Standard InChI
- InChI=1S/C12H14N6O2S4/c1-2-21-11-16-15-9(23-11)13-8(20)6-22-12-17-18-5-3-4-7(19)14-10(18)24-12/h2-6H2,1H3,(H,13,15,20)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]CSC2=NN3C(=N[CH]CCC3)S2
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.
- 24824262#37338
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 204.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.543 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.136
- 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 · 24824039