Molecule card · MolClass #47024
24808012
24808012: 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
- 24808012Mitochondrial Fusion · compound_name
- MolClass ID
- 47024
- InChIKey
- KPXMINXTRXIWEN-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)C=1C(=O)C(C(=O)OC)C(C)(C)CC=1N2CCCCC2
- Standard InChI
- InChI=1S/C19H29NO4/c1-5-9-14(21)15-13(20-10-7-6-8-11-20)12-19(2,3)16(17(15)22)18(23)24-4/h16H,5-12H2,1-4H3
- Stored Murcko scaffold
- C=1[CH]CCCC1N2CCCCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.994
- 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 · 24808012