Molecule card · MolClass #41305
7970805
7970805: 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
- 7970805Mitochondrial Fusion · compound_name
- MolClass ID
- 41305
- InChIKey
- AKWQOYCJFYESAA-UHFFFAOYSA-N
- Canonical SMILES
- CCN(C1CCCCC1)S(=O)(=O)C2=CN(C)C(=O)N(C)C2(=O)
- Standard InChI
- InChI=1S/C14H23N3O4S/c1-4-17(11-8-6-5-7-9-11)22(20,21)12-10-15(2)14(19)16(3)13(12)18/h10-11H,4-9H2,1-3H3
- Stored Murcko scaffold
- n1cncc(SNC2CCCCC2)c1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.703
- 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 · 7970805