Molecule card · MolClass #35958
7977927
7977927: 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
- 7977927Mitochondrial Fusion · compound_name
- MolClass ID
- 35958
- InChIKey
- VKRZOWHFRCMNEJ-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)NC2C1N(CCN2S(C)(=O)=O)S(C)(=O)=O
- Standard InChI
- InChI=1S/C8H16N4O5S2/c1-10-7-6(9-8(10)13)11(18(2,14)15)4-5-12(7)19(3,16)17/h6-7H,4-5H2,1-3H3,(H,9,13)
- Stored Murcko scaffold
- [N]1[CH]NC2NCCNC12
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.
- 7973729#26981
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.828
- 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 · 7977927