Molecule card · MolClass #43277
24841741
24841741: 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
- 24841741Mitochondrial Fusion · compound_name
- MolClass ID
- 43277
- InChIKey
- MWPTUNSIFAINSQ-GFCCVEGCSA-N
- Canonical SMILES
- CCCCN1C(CNC1=S)c2ccccc2
- Standard InChI
- InChI=1S/C13H18N2S/c1-2-3-9-15-12(10-14-13(15)16)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,16)/t12-/m1/s1
- Stored Murcko scaffold
- [N]1[CH]NCC1c2ccccc2
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
- 2
- 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
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.761
- 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 · 24841741