Molecule card · MolClass #38891
14741621
14741621: 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
- 14741621Mitochondrial Fusion · compound_name
- MolClass ID
- 38891
- InChIKey
- NYGCKEBJYNYXDD-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(Cc1nnnn1(CC(=O)O))
- Standard InChI
- InChI=1S/C11H12N4O3/c1-18-9-5-3-2-4-8(9)6-10-12-13-14-15(10)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
- Stored Murcko scaffold
- n1n[nH]c(n1)Cc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.272
- 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 · 14741621