Molecule card · MolClass #47466
17388004
17388004: 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
- 17388004Mitochondrial Fusion · compound_name
- MolClass ID
- 47466
- InChIKey
- YTRJZQHAFGUMFA-ATVHPVEESA-N
- Canonical SMILES
- CCCCCCCC(=O)NN=C(C)C1=C(O)C=C(C)OC1(=O)
- Standard InChI
- InChI=1S/C16H24N2O4/c1-4-5-6-7-8-9-14(20)18-17-12(3)15-13(19)10-11(2)22-16(15)21/h10,19H,4-9H2,1-3H3,(H,18,20)/b17-12-
- Stored Murcko scaffold
- O1[CH]C=CC=C1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.025
- 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 · 17388004