Molecule card · MolClass #51973
7974374
7974374: 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
- 7974374Mitochondrial Fusion · compound_name
- MolClass ID
- 51973
- InChIKey
- PZGISYNEUDOIKE-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc4c1CCCCc1sc4(NC(NC(=O)c2ccco2)C(=O)c3ccccc3)
- Standard InChI
- InChI=1S/C22H19N3O3S/c23-13-16-15-9-4-5-11-18(15)29-22(16)25-20(19(26)14-7-2-1-3-8-14)24-21(27)17-10-6-12-28-17/h1-3,6-8,10,12,20,25H,4-5,9,11H2,(H,24,27)
- Stored Murcko scaffold
- o1cccc1[CH]NC([CH]c2ccccc2)Nc3sc4c(c3)CCCC4
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.29
- 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 · 7974374