Molecule card · MolClass #46435
17409202
17409202: 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
- 17409202Mitochondrial Fusion · compound_name
- MolClass ID
- 46435
- InChIKey
- XLPBGKXXHFEANS-UHFFFAOYSA-N
- Canonical SMILES
- C[N+](C)(C)CCCN1C(=O)CCCC1(=O)
- Standard InChI
- InChI=1S/C11H21N2O2/c1-13(2,3)9-5-8-12-10(14)6-4-7-11(12)15/h4-9H2,1-3H3/q+1
- Stored Murcko scaffold
- [N]1[CH]CCC[CH]1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 213.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.45
- 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 · 17409202