Molecule card · MolClass #40890
14723156
14723156: 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
- 14723156Mitochondrial Fusion · compound_name
- MolClass ID
- 40890
- InChIKey
- PHLWPVNOPFYDKD-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)CC(C1(=O))Sc2ncccc2(C(=O)O)
- Standard InChI
- InChI=1S/C11H10N2O4S/c1-13-8(14)5-7(10(13)15)18-9-6(11(16)17)3-2-4-12-9/h2-4,7H,5H2,1H3,(H,16,17)
- Stored Murcko scaffold
- [N]1[CH]CC(Sc2ncccc2)[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.
- 24795042#42465
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.375
- 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 · 14723156