Molecule card · MolClass #45841
842956
842956: 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
- 842956Mitochondrial Fusion · compound_name
- MolClass ID
- 45841
- InChIKey
- CNSVDEJTMAQHQU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2oc(c(CN1CCCC1)c2(C(=O)O))C(C)(C)C
- Standard InChI
- InChI=1S/C15H23NO3/c1-10-12(14(17)18)11(9-16-7-5-6-8-16)13(19-10)15(2,3)4/h5-9H2,1-4H3,(H,17,18)
- Stored Murcko scaffold
- o1ccc(c1)CN2CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.673
- 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 · 842956