Molecule card · MolClass #47367
22415377
22415377: 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
- 22415377Mitochondrial Fusion · compound_name
- MolClass ID
- 47367
- InChIKey
- PCSKXAUYICVDHF-UHFFFAOYSA-N
- Canonical SMILES
- CCCN(CCC)C(=O)C2CC(=O)OC12(CCOC(C)(C)C1)
- Standard InChI
- InChI=1S/C17H29NO4/c1-5-8-18(9-6-2)15(20)13-11-14(19)22-17(13)7-10-21-16(3,4)12-17/h13H,5-12H2,1-4H3
- Stored Murcko scaffold
- O1CCC2(O[CH]CC2)CC1
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.
- 7974879#33715
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
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.989
- 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 · 22415377