Molecule card · MolClass #41769
24786128
24786128: 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
- 24786128Mitochondrial Fusion · compound_name
- MolClass ID
- 41769
- InChIKey
- MIWXAAFGUJKRLL-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc3nc(cs3)c4ccccc4
- Standard InChI
- InChI=1S/C21H29N3OS/c25-13-10-19-14-23(11-12-24(19)18-8-4-5-9-18)15-21-22-20(16-26-21)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,25H,4-5,8-15H2
- Stored Murcko scaffold
- n1c(csc1CN2CCN(CC2)C3CCCC3)-c4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.541 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.83
- 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 · 24786128