Molecule card · MolClass #37859
3715611
3715611: 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
- 3715611Mitochondrial Fusion · compound_name
- MolClass ID
- 37859
- InChIKey
- IARFUFXANITCAE-UHFFFAOYSA-N
- Canonical SMILES
- CCNc2nc(NCC)n1c(nnc1SCC(=O)O)n2
- Standard InChI
- InChI=1S/C10H15N7O2S/c1-3-11-7-13-8(12-4-2)17-9(14-7)15-16-10(17)20-5-6(18)19/h3-5H2,1-2H3,(H,18,19)(H2,11,12,13,14,15)
- Stored Murcko scaffold
- n1nc2ncncn2c1
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 142.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.367
- 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 · 3715611