Molecule card · MolClass #40762
14732043
14732043: 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
- 14732043Mitochondrial Fusion · compound_name
- MolClass ID
- 40762
- InChIKey
- WCDUYZDQIKUJFR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)NC(=O)c1cc(ccc1Cl)n2cnnc2
- Standard InChI
- InChI=1S/C12H13ClN4O/c1-8(2)16-12(18)10-5-9(3-4-11(10)13)17-6-14-15-7-17/h3-8H,1-2H3,(H,16,18)
- Stored Murcko scaffold
- n1ncn(c1)-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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.711 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.829
- 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 · 14732043