Molecule card · MolClass #38854
14719052
14719052: 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
- 14719052Mitochondrial Fusion · compound_name
- MolClass ID
- 38854
- InChIKey
- PAJCZBFMGWLGCW-UHFFFAOYSA-N
- Canonical SMILES
- COCc2c(nnn2(c1ccccc1))C(=O)OC
- Standard InChI
- InChI=1S/C12H13N3O3/c1-17-8-10-11(12(16)18-2)13-14-15(10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
- Stored Murcko scaffold
- n1nn(cc1)-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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.193
- 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 · 14719052