Molecule card · MolClass #45774
17387179
17387179: 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
- 17387179Mitochondrial Fusion · compound_name
- MolClass ID
- 45774
- InChIKey
- CILZUPZEDAHCLB-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C4C1CCC(C1)C4(C(=O)N3(CNc2ccc(F)cc2))
- Standard InChI
- InChI=1S/C16H17FN2O2/c17-11-3-5-12(6-4-11)18-8-19-15(20)13-9-1-2-10(7-9)14(13)16(19)21/h3-6,9-10,13-14,18H,1-2,7-8H2
- Stored Murcko scaffold
- c1ccc(cc1)NCN2[CH]C3C([CH]2)C4CCC3C4
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
- 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
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.419
- 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 · 17387179