Molecule card · MolClass #40568
24823532
24823532: 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
- 24823532Mitochondrial Fusion · compound_name
- MolClass ID
- 40568
- InChIKey
- XRBRQBWFVGMXID-WCIBSUBMSA-N
- Canonical SMILES
- Oc2nncc(NN=Cc1cccs1)c2Cl
- Standard InChI
- InChI=1S/C9H7ClN4OS/c10-8-7(5-12-14-9(8)15)13-11-4-6-2-1-3-16-6/h1-5H,(H2,13,14,15)/b11-4-
- Stored Murcko scaffold
- n1ncc(cc1)NN=Cc2sccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.697 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.265
- 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 · 24823532