Molecule card · MolClass #41734
7969659
7969659: 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
- 7969659Mitochondrial Fusion · compound_name
- MolClass ID
- 41734
- InChIKey
- STWVVKNEHDSAQF-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c3nc(nc2c3(nc(O)n2(c1ccc(F)cc1)))C4CCCCC4
- Standard InChI
- InChI=1S/C18H18FN5O2/c19-11-6-8-12(9-7-11)24-17-14(22-18(24)26)13(15(20)25)21-16(23-17)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,20,25)(H,22,26)
- Stored Murcko scaffold
- n1cc2ncn(c2nc1C3CCCCC3)-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.
- 24779534#43036
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.073
- 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 · 7969659