Molecule card · MolClass #45663
14745032
14745032: 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
- 14745032Mitochondrial Fusion · compound_name
- MolClass ID
- 45663
- InChIKey
- HZXMZMDTBYMQOF-UITAMQMPSA-N
- Canonical SMILES
- COc2cc(OC)c(cc2(C=C1C(=O)N=C(N)N1(C)))OC
- Standard InChI
- InChI=1S/C14H17N3O4/c1-17-9(13(18)16-14(17)15)5-8-6-11(20-3)12(21-4)7-10(8)19-2/h5-7H,1-4H3,(H2,15,16,18)/b9-5-
- Stored Murcko scaffold
- N1=CNC([CH]1)=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.
- 24811173#45960
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
- 86.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.303 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.744
- 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 · 14745032