Molecule card · MolClass #38694
14734181
14734181: 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
- 14734181Mitochondrial Fusion · compound_name
- MolClass ID
- 38694
- InChIKey
- PGKPTOJYGOQULM-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nnc(c1cnn(C)c1(N))n3(Cc2ccccc2(F))
- Standard InChI
- InChI=1S/C14H15FN6/c1-9-18-19-14(11-7-17-20(2)13(11)16)21(9)8-10-5-3-4-6-12(10)15/h3-7H,8,16H2,1-2H3
- Stored Murcko scaffold
- n1nc(-c2cn[nH]c2)n(c1)Cc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.581
- 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 · 14734181