Molecule card · MolClass #39475
24818640
24818640: 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
- 24818640Mitochondrial Fusion · compound_name
- MolClass ID
- 39475
- InChIKey
- HIWYATPHCFBDQB-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C(NC(=O)c1c(C)nn(C)c1Cl)c2ccccc2
- Standard InChI
- InChI=1S/C15H16ClN3O3/c1-9-11(13(16)19(2)18-9)14(20)17-12(15(21)22-3)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,17,20)
- Stored Murcko scaffold
- n1cc(c[nH]1)[CH]NCc2ccccc2
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.
- 24817566#40088
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.759 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.011
- 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 · 24818640