Molecule card · MolClass #51953
7976574
7976574: 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
- 7976574Mitochondrial Fusion · compound_name
- MolClass ID
- 51953
- InChIKey
- FQNRZONTWCHMID-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C(=O)Nc2nc1ccccc1s2)Sc4nnnn4(c3ccccc3)
- Standard InChI
- InChI=1S/C18H16N6OS2/c1-2-14(16(25)20-17-19-13-10-6-7-11-15(13)26-17)27-18-21-22-23-24(18)12-8-4-3-5-9-12/h3-11,14H,2H2,1H3,(H,19,20,25)
- Stored Murcko scaffold
- n1nc(SC[CH]Nc2nc3ccccc3s2)n(n1)-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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 139.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.561
- 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 · 7976574