Molecule card · MolClass #39685
24782313
24782313: 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
- 24782313Mitochondrial Fusion · compound_name
- MolClass ID
- 39685
- InChIKey
- AHNYUPZATWZACA-UHFFFAOYSA-N
- Canonical SMILES
- COCCCNc1nc4nonc4(nc1N2CCC(CC2)C(C)N3CCOCC3)
- Standard InChI
- InChI=1S/C19H31N7O3/c1-14(25-9-12-28-13-10-25)15-4-7-26(8-5-15)19-18(20-6-3-11-27-2)21-16-17(22-19)24-29-23-16/h14-15H,3-13H2,1-2H3,(H,20,21,23)
- Stored Murcko scaffold
- n1onc2nc(cnc12)N3CCC(CN4CCOCC4)CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.495 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.596
- 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 · 24782313