Molecule card · MolClass #45023
24800567
24800567: 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
- 24800567Mitochondrial Fusion · compound_name
- MolClass ID
- 45023
- InChIKey
- LGIAHKLWGHEYNX-UHFFFAOYSA-N
- Canonical SMILES
- CN(CCc1cnn(C)c1)Cc4cn(C)nc4(c2ccc3OCCOc3(c2))
- Standard InChI
- InChI=1S/C20H25N5O2/c1-23(7-6-15-11-21-24(2)12-15)13-17-14-25(3)22-20(17)16-4-5-18-19(10-16)27-9-8-26-18/h4-5,10-12,14H,6-9,13H2,1-3H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CCNCc2c[nH]nc2-c3ccc4OCCOc4c3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.911
- 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 · 24800567