Molecule card · MolClass #47358
865332
865332: 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
- 865332Mitochondrial Fusion · compound_name
- MolClass ID
- 47358
- InChIKey
- OWUPRYVIZKXVOO-UHFFFAOYSA-N
- Canonical SMILES
- N=C3c4c1CCCCc1sc4(N=CN3(CCN2CCOCC2))
- Standard InChI
- InChI=1S/C16H22N4OS/c17-15-14-12-3-1-2-4-13(12)22-16(14)18-11-20(15)6-5-19-7-9-21-10-8-19/h11,17H,1-10H2
- Stored Murcko scaffold
- N1=CN([CH]c2c1sc3c2CCCC3)CCN4CCOCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.766
- 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 · 865332