Molecule card · MolClass #47196
24786333
24786333: 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
- 24786333Mitochondrial Fusion · compound_name
- MolClass ID
- 47196
- InChIKey
- CDOHORJVXCLJRH-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CCn1cccn1)Cc3nc(Cc2cccc(F)c2)no3
- Standard InChI
- InChI=1S/C17H20FN5O/c1-2-22(9-10-23-8-4-7-19-23)13-17-20-16(21-24-17)12-14-5-3-6-15(18)11-14/h3-8,11H,2,9-10,12-13H2,1H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CNCCn3nccc3
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.
- 24780260#48701
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.698
- 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 · 24786333