Molecule card · MolClass #39811
24817511
24817511: 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
- 24817511Mitochondrial Fusion · compound_name
- MolClass ID
- 39811
- InChIKey
- GFJKPQMXELBNIV-UHFFFAOYSA-N
- Canonical SMILES
- Cn2nc(c(CN1CC(C)(C)C1(=O))c2N3CCOCC3)C(F)(F)F
- Standard InChI
- InChI=1S/C15H21F3N4O2/c1-14(2)9-22(13(14)23)8-10-11(15(16,17)18)19-20(3)12(10)21-4-6-24-7-5-21/h4-9H2,1-3H3
- Stored Murcko scaffold
- n1cc(c([nH]1)N2CCOCC2)CN3[CH]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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.507
- 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 · 24817511