Molecule card · MolClass #37495
7970826
7970826: 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
- 7970826Mitochondrial Fusion · compound_name
- MolClass ID
- 37495
- InChIKey
- FQRMJCXTBDCXQZ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cc2nc(C(N)=O)c3nc(O)n(c1ccc(F)cc1)c3(n2)
- Standard InChI
- InChI=1S/C16H16FN5O2/c1-8(2)7-11-19-12(14(18)23)13-15(20-11)22(16(24)21-13)10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H2,18,23)(H,21,24)
- Stored Murcko scaffold
- n1cnc2c(ncn2-c3ccccc3)c1
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.
- 21314-05-6#8344
- 26666415#26047
- 85147302#27104
- 4249529#37719
- 7971925#38119
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.49
- 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 · 7970826