Molecule card · MolClass #37305
24799421
24799421: 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
- 24799421Mitochondrial Fusion · compound_name
- MolClass ID
- 37305
- InChIKey
- URJHENWRLNYCHY-UHFFFAOYSA-N
- Canonical SMILES
- COCCNc1nc3nonc3(nc1N2CCC(C2)N(C)C)
- Standard InChI
- InChI=1S/C13H21N7O2/c1-19(2)9-4-6-20(8-9)13-12(14-5-7-21-3)15-10-11(16-13)18-22-17-10/h9H,4-8H2,1-3H3,(H,14,15,17)
- Stored Murcko scaffold
- n1onc2nc(cnc12)N3CCCC3
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.
- 24799848#32711
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.625
- 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 · 24799421