Molecule card · MolClass #47016
24786127
24786127: 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
- 24786127Mitochondrial Fusion · compound_name
- MolClass ID
- 47016
- InChIKey
- AUSXQTVJSKTVIH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCN1CCN(CC1(CCO))Cc3nc2ccccc2s3
- Standard InChI
- InChI=1S/C19H29N3OS/c1-15(2)7-9-22-11-10-21(13-16(22)8-12-23)14-19-20-17-5-3-4-6-18(17)24-19/h3-6,15-16,23H,7-14H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2sc1CN3CCNCC3
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
- 347.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.502
- 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 · 24786127