Molecule card · MolClass #42736
14730309
14730309: 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
- 14730309Mitochondrial Fusion · compound_name
- MolClass ID
- 42736
- InChIKey
- YJESOILTSJPIJH-CMDGGOBGSA-N
- Canonical SMILES
- CN(C)C=CC(=O)C2=NN(c1ccc(cc1)Cl)C(=O)N(C)C2(=O)
- Standard InChI
- InChI=1S/C15H15ClN4O3/c1-18(2)9-8-12(21)13-14(22)19(3)15(23)20(17-13)11-6-4-10(16)5-7-11/h4-9H,1-3H3/b9-8+
- Stored Murcko scaffold
- [N]1[CH]C=NN([CH]1)c2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.758 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.091
- 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 · 14730309