Molecule card · MolClass #51906
14723109
14723109: 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
- 14723109Mitochondrial Fusion · compound_name
- MolClass ID
- 51906
- InChIKey
- DMCRKWAWEWZWFI-UHFFFAOYSA-N
- Canonical SMILES
- CCc1c(C)nc(nc1(O))Nc2nc(C)c3ccc(cc3(n2))OC
- Standard InChI
- InChI=1S/C17H19N5O2/c1-5-12-9(2)18-17(21-15(12)23)22-16-19-10(3)13-7-6-11(24-4)8-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23)
- Stored Murcko scaffold
- n1cccnc1Nc2ncc3ccccc3n2
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.
- 1502667#17126
- 14739167#51532
- Cc1cc(O)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)n1#151196
- Cc1cc(C)c2nc(Nc3nc(O)cc(O)n3)nc(C)c2c1#151197
- Cc1ccc2c(C)nc(Nc3nc(O)cc(O)n3)nc2c1#151198
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.016
- 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 · 14723109