Molecule card · MolClass #40279
24817163
24817163: 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
- 24817163Mitochondrial Fusion · compound_name
- MolClass ID
- 40279
- InChIKey
- VQZLJWGKOTZDDG-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCc2c(C1)sc(N)c2(C(=O)O)
- Standard InChI
- InChI=1S/C9H12N2O2S/c1-11-3-2-5-6(4-11)14-8(10)7(5)9(12)13/h2-4,10H2,1H3,(H,12,13)
- Stored Murcko scaffold
- s1ccc2c1CNCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 212.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.031
- 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 · 24817163