Molecule card · MolClass #51880
14723759
14723759: 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
- 14723759Mitochondrial Fusion · compound_name
- MolClass ID
- 51880
- InChIKey
- ZUPPXPKPJMJHRI-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)C(CCCn2nnc(n2)c3cccnc3)c4ccc(F)cc4
- Standard InChI
- InChI=1S/C22H19F2N5/c23-19-9-5-16(6-10-19)21(17-7-11-20(24)12-8-17)4-2-14-29-27-22(26-28-29)18-3-1-13-25-15-18/h1,3,5-13,15,21H,2,4,14H2
- Stored Murcko scaffold
- n1cccc(c1)-c2nnn(n2)CCCC(c3ccccc3)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.633
- 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 · 14723759