Molecule card · MolClass #36083
24785384
24785384: 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
- 24785384Mitochondrial Fusion · compound_name
- MolClass ID
- 36083
- InChIKey
- QJHLSXXGFICROR-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C3=NC2(CCCC2)NC3=S
- Standard InChI
- InChI=1S/C13H14N2S/c16-12-11(10-6-2-1-3-7-10)14-13(15-12)8-4-5-9-13/h1-3,6-7H,4-5,8-9H2,(H,15,16)
- Stored Murcko scaffold
- N1=C([CH]NC12CCCC2)c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.701
- 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 · 24785384