Molecule card · MolClass #37103
24797956
24797956: 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
- 24797956Mitochondrial Fusion · compound_name
- MolClass ID
- 37103
- InChIKey
- OCEGWMCNVTWHKK-UHFFFAOYSA-N
- Canonical SMILES
- CCn1cc(cn1)CN3CCN(Cc2ccsc2)C(CCO)C3
- Standard InChI
- InChI=1S/C17H26N4OS/c1-2-21-12-16(9-18-21)10-19-5-6-20(17(13-19)3-7-22)11-15-4-8-23-14-15/h4,8-9,12,14,17,22H,2-3,5-7,10-11,13H2,1H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCN(Cc3cscc3)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.157
- 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 · 24797956