Molecule card · MolClass #43493
24828298
24828298: 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
- 24828298Mitochondrial Fusion · compound_name
- MolClass ID
- 43493
- InChIKey
- SLEUGDZLTNYVMO-UHFFFAOYSA-N
- Canonical SMILES
- CCNc3nc(NCC)n1c(nnc1SCC(=O)c2ccccc2Cl)n3
- Standard InChI
- InChI=1S/C16H18ClN7OS/c1-3-18-13-20-14(19-4-2)24-15(21-13)22-23-16(24)26-9-12(25)10-7-5-6-8-11(10)17/h5-8H,3-4,9H2,1-2H3,(H2,18,19,20,21,22)
- Stored Murcko scaffold
- n1nc(SC[CH]c2ccccc2)n3cncnc13
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.
- 17514594#32434
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 122.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.88 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.968
- 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 · 24828298