Molecule card · MolClass #48839
24785237
24785237: 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
- 24785237Mitochondrial Fusion · compound_name
- MolClass ID
- 48839
- InChIKey
- OMMPCZAGXIKCMA-UHFFFAOYSA-N
- Canonical SMILES
- CCCn3ncc(CN1CCC(CO)(CC1)CC2CCCCO2)c3(C)
- Standard InChI
- InChI=1S/C20H35N3O2/c1-3-9-23-17(2)18(14-21-23)15-22-10-7-20(16-24,8-11-22)13-19-6-4-5-12-25-19/h14,19,24H,3-13,15-16H2,1-2H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCC(CC2)CC3OCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.512 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.39
- 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 · 24785237