Molecule card · MolClass #48731
7970252
7970252: 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
- 7970252Mitochondrial Fusion · compound_name
- MolClass ID
- 48731
- InChIKey
- SNSUKFWFXYULLK-UHFFFAOYSA-N
- Canonical SMILES
- Cn2c(O)c4nc1ccccc1c4(nc2SCC(=O)N3CCCCC3)
- Standard InChI
- InChI=1S/C18H20N4O2S/c1-21-17(24)16-15(12-7-3-4-8-13(12)19-16)20-18(21)25-11-14(23)22-9-5-2-6-10-22/h3-4,7-8,24H,2,5-6,9-11H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2c-3nc(SC[CH]N4CCCCC4)[nH]cc13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.922
- 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 · 7970252