Molecule card · MolClass #37109
24798639
24798639: 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
- 24798639Mitochondrial Fusion · compound_name
- MolClass ID
- 37109
- InChIKey
- MNEXXKOTHIPNPL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN1CCN(CC1(CCO))Cc2nc(cs2)C(C)C
- Standard InChI
- InChI=1S/C18H31N3OS/c1-14(2)5-7-21-9-8-20(11-16(21)6-10-22)12-18-19-17(13-23-18)15(3)4/h5,13,15-16,22H,6-12H2,1-4H3
- Stored Murcko scaffold
- n1ccsc1CN2CCNCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.525 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.604
- 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 · 24798639