Molecule card · MolClass #37213
842397
842397: 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
- 842397Mitochondrial Fusion · compound_name
- MolClass ID
- 37213
- InChIKey
- ZJGKEIBJIKDJDW-UHFFFAOYSA-N
- Canonical SMILES
- N=C2c3c1CCCCCc1sc3(N=CN2(N))
- Standard InChI
- InChI=1S/C11H14N4S/c12-10-9-7-4-2-1-3-5-8(7)16-11(9)14-6-15(10)13/h6,12H,1-5,13H2
- Stored Murcko scaffold
- N1=CN[CH]c2c1sc3c2CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.941
- 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 · 842397