Molecule card · MolClass #52187
4243834
4243834: 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
- 4243834Mitochondrial Fusion · compound_name
- MolClass ID
- 52187
- InChIKey
- SDAAHTTYDIXUBO-UHFFFAOYSA-N
- Canonical SMILES
- CCC3CCCCN3(CCCNC(=O)CN2C(=O)C(CC)Oc1ccc(C)cc12)
- Standard InChI
- InChI=1S/C23H35N3O3/c1-4-18-9-6-7-13-25(18)14-8-12-24-22(27)16-26-19-15-17(3)10-11-21(19)29-20(5-2)23(26)28/h10-11,15,18,20H,4-9,12-14,16H2,1-3H3,(H,24,27)
- Stored Murcko scaffold
- O1c2ccccc2N([CH]C1)C[CH]NCCCN3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.543 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.181
- 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 · 4243834