Molecule card · MolClass #37876
24824106
24824106: 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
- 24824106Mitochondrial Fusion · compound_name
- MolClass ID
- 37876
- InChIKey
- HXNQDCULQIWFTQ-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NN=C(N(N)C1(=O))SCC(=O)c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C12H11ClN4O2S/c1-7-11(19)17(14)12(16-15-7)20-6-10(18)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.761 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.093
- 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 · 24824106