Molecule card · MolClass #39617
24821141
24821141: 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
- 24821141Mitochondrial Fusion · compound_name
- MolClass ID
- 39617
- InChIKey
- HYXNGVQNUQAQOA-RIYZIHGNSA-N
- Canonical SMILES
- CON=Cc1c(nn(C)c1Cl)c2ccccc2
- Standard InChI
- InChI=1S/C12H12ClN3O/c1-16-12(13)10(8-14-17-2)11(15-16)9-6-4-3-5-7-9/h3-8H,1-2H3/b14-8+
- Stored Murcko scaffold
- n1[nH]ccc1-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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.697 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.539
- 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 · 24821141