Molecule card · MolClass #41621
17403583
17403583: 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
- 17403583Mitochondrial Fusion · compound_name
- MolClass ID
- 41621
- InChIKey
- GCCPRVFYSHWFGT-UHFFFAOYSA-N
- Canonical SMILES
- CN3c1ccccc1N4C(=O)C(=O)N(CC(=O)c2ccc(F)cc2)N=C34
- Standard InChI
- InChI=1S/C18H13FN4O3/c1-21-13-4-2-3-5-14(13)23-17(26)16(25)22(20-18(21)23)10-15(24)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3
- Stored Murcko scaffold
- N1=C2Nc3ccccc3N2[CH][CH]N1C[CH]c4ccccc4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.864
- 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 · 17403583