Molecule card · MolClass #37664
24785682
24785682: 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
- 24785682Mitochondrial Fusion · compound_name
- MolClass ID
- 37664
- InChIKey
- HXDWKKRIBIYWBS-UHFFFAOYSA-N
- Canonical SMILES
- Cn3cc(CNCCCn2ncc1ccccc12)c(n3)c4ccccc4(F)
- Standard InChI
- InChI=1S/C21H22FN5/c1-26-15-17(21(25-26)18-8-3-4-9-19(18)22)13-23-11-6-12-27-20-10-5-2-7-16(20)14-24-27/h2-5,7-10,14-15,23H,6,11-13H2,1H3
- Stored Murcko scaffold
- n1cc2ccccc2n1CCCNCc3c[nH]nc3-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.184
- 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 · 24785682