Molecule card · MolClass #39248
14720652
14720652: 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
- 14720652Mitochondrial Fusion · compound_name
- MolClass ID
- 39248
- InChIKey
- OTQCEDSGNLCOQI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1oc(cc1C(=O)N2CCCC2(C(=O)O))C(C)(C)C
- Standard InChI
- InChI=1S/C15H21NO4/c1-9-10(8-12(20-9)15(2,3)4)13(17)16-7-5-6-11(16)14(18)19/h8,11H,5-7H2,1-4H3,(H,18,19)
- Stored Murcko scaffold
- o1ccc(c1)[CH]N2CCCC2
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.
- 7972137#37946
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.384
- 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 · 14720652