Molecule card · MolClass #35951
14741561
14741561: 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
- 14741561Mitochondrial Fusion · compound_name
- MolClass ID
- 35951
- InChIKey
- LRYUMHXJZJBSIH-UHFFFAOYSA-N
- Canonical SMILES
- N#CC3(C#N)(COC12(CCCCC1C3(C#N)(C(=N)O2)))
- Standard InChI
- InChI=1S/C13H12N4O2/c14-5-11(6-15)8-18-13-4-2-1-3-9(13)12(11,7-16)10(17)19-13/h9,17H,1-4,8H2
- Stored Murcko scaffold
- O1[CH]C2CCOC13CCCCC23
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.26 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.471
- 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 · 14741561