Molecule card · MolClass #51138
17406856
17406856: 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
- 17406856Mitochondrial Fusion · compound_name
- MolClass ID
- 51138
- InChIKey
- NAZRLAPRFAUAEY-NIQTYAIASA-N
- Canonical SMILES
- CN=C3N(C)C(=O)C(=Cc1cc(C)n(c1(C))c2ccccc2(F))S3
- Standard InChI
- InChI=1S/C18H18FN3OS/c1-11-9-13(10-16-17(23)21(4)18(20-3)24-16)12(2)22(11)15-8-6-5-7-14(15)19/h5-10H,1-4H3/b16-10-,20-18+
- Stored Murcko scaffold
- [N]1[CH]SC([CH]1)=Cc2ccn(c2)-c3ccccc3
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
- 3
- 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
- 62.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.205
- 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 · 17406856