Molecule card · MolClass #36658
24789465
24789465: 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
- 24789465Mitochondrial Fusion · compound_name
- MolClass ID
- 36658
- InChIKey
- BSPVYWBNGUTBQQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2NC1(CCCC1)Oc3ccccc23
- Standard InChI
- InChI=1S/C12H13NO2/c14-11-9-5-1-2-6-10(9)15-12(13-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
- Stored Murcko scaffold
- O1c2ccccc2[CH]NC13CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.522
- 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 · 24789465