Molecule card · MolClass #38950
24836809
24836809: 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
- 24836809Mitochondrial Fusion · compound_name
- MolClass ID
- 38950
- InChIKey
- FYPXPXUQTCUDRK-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)S(=O)(=O)CC3(C)(C2CCC3(C)(C(=O)C2Br))
- Standard InChI
- InChI=1S/C16H27BrN2O3S/c1-4-18-7-9-19(10-8-18)23(21,22)11-16(3)12-5-6-15(16,2)14(20)13(12)17/h12-13H,4-11H2,1-3H3
- Stored Murcko scaffold
- S(N1CCNCC1)CC2C3[CH]CC2CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.134
- 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 · 24836809