Molecule card · MolClass #46153
24806572
24806572: 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
- 24806572Mitochondrial Fusion · compound_name
- MolClass ID
- 46153
- InChIKey
- XTGAUKZUFPICIW-UHFFFAOYSA-N
- Canonical SMILES
- CCN2CCCC2(CNC(=O)C(=O)NC1CC1)
- Standard InChI
- InChI=1S/C12H21N3O2/c1-2-15-7-3-4-10(15)8-13-11(16)12(17)14-9-5-6-9/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
- Stored Murcko scaffold
- [CH]([CH]NC1CC1)NCC2NCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.254
- 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 · 24806572