Molecule card · MolClass #39643
14733325
14733325: 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
- 14733325Mitochondrial Fusion · compound_name
- MolClass ID
- 39643
- InChIKey
- LWNYVUFSHJVIGB-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NN(CC#N)C(=O)N1c2ccc(F)cc2
- Standard InChI
- InChI=1S/C11H9FN4O/c1-8-14-15(7-6-13)11(17)16(8)10-4-2-9(12)3-5-10/h2-5H,7H2,1H3
- Stored Murcko scaffold
- n1ncn(c1)-c2ccccc2
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.
View all molecules with this 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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.214 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.325
- 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 · 14733325