Molecule card · MolClass #47073
24809392
24809392: 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
- 24809392Mitochondrial Fusion · compound_name
- MolClass ID
- 47073
- InChIKey
- JKKOUYGBFCDGQI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1ccc(cc1)CN4N=Nc3c(c2CCCCc2s3)C4(=O)
- Standard InChI
- InChI=1S/C17H15N3O3S/c21-16-14-12-3-1-2-4-13(12)24-15(14)18-19-20(16)9-10-5-7-11(8-6-10)17(22)23/h5-8H,1-4,9H2,(H,22,23)
- Stored Murcko scaffold
- N1=NN([CH]c2c1sc3c2CCCC3)Cc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.446
- 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 · 24809392