Molecule card · MolClass #41282
7968897
7968897: 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
- 7968897Mitochondrial Fusion · compound_name
- MolClass ID
- 41282
- InChIKey
- QXEGYJBUVVQING-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCCc2(n1))Nc3ccc(F)cc3(F)
- Standard InChI
- InChI=1S/C16H17F2N3O/c17-12-6-7-15(13(18)8-12)19-16(22)10-21-9-11-4-2-1-3-5-14(11)20-21/h6-9H,1-5,10H2,(H,19,22)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]Nc3ccccc3)CCCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.161
- 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 · 7968897