Molecule card · MolClass #48143
17386935
17386935: 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
- 17386935Mitochondrial Fusion · compound_name
- MolClass ID
- 48143
- InChIKey
- NMUOCMHRTRQPTH-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cnn(c1ccccc1)c2(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)
- Standard InChI
- InChI=1S/C16H12F7N3O3/c1-2-29-12(27)10-8-24-26(9-6-4-3-5-7-9)11(10)25-13(28)14(17,18)15(19,20)16(21,22)23/h3-8H,2H2,1H3,(H,25,28)
- Stored Murcko scaffold
- n1cccn1-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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.076
- 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 · 17386935