Molecule card · MolClass #36379
14727244
14727244: 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
- 14727244Mitochondrial Fusion · compound_name
- MolClass ID
- 36379
- InChIKey
- UXRZWQHCEIXAAF-UHFFFAOYSA-N
- Canonical SMILES
- CCn1ccc(n1)C(=O)NC=2CCCC=2(C#N)
- Standard InChI
- InChI=1S/C12H14N4O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(10)8-13/h6-7H,2-5H2,1H3,(H,14,17)
- Stored Murcko scaffold
- n1[nH]ccc1[CH]NC2=CCCC2
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.
No other molecules currently have this stored 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
- 70.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.501
- 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 · 14727244