Molecule card · MolClass #15987
1984614
1984614: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4240770Mitochondrial Fusion · compound_name
- MolClass ID
- 15987
- InChIKey
- PXWPJLXSBCFETO-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)CCC(=O)C=1C(=O)CC(C)(C)CC=1(NC)
- Standard InChI
- InChI=1S/C14H22N2O3/c1-14(2)7-9(15-3)13(11(18)8-14)10(17)5-6-12(19)16-4/h15H,5-8H2,1-4H3,(H,16,19)
- Stored Murcko scaffold
- C1=CCCC[CH]1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.731
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1984614
Mitochondrial Fusion
Dataset #19 · 4240770