Molecule card · MolClass #37226
4243967
4243967: 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
- 4243967Mitochondrial Fusion · compound_name
- MolClass ID
- 37226
- InChIKey
- HJQWEGPDNVONRH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C4CC(C(F)F)n5ncc(C(=O)Nc2cnn(c2)Cc3ccccc3(C))c5(N4)
- Standard InChI
- InChI=1S/C26H26F2N6O/c1-16-7-9-18(10-8-16)22-11-23(24(27)28)34-25(32-22)21(13-30-34)26(35)31-20-12-29-33(15-20)14-19-6-4-3-5-17(19)2/h3-10,12-13,15,22-24,32H,11,14H2,1-2H3,(H,31,35)
- Stored Murcko scaffold
- n1cc(cn1Cc2ccccc2)N[CH]c3cnn4c3NC(c5ccccc5)CC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 476.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.778
- 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 · 4243967