Molecule card · MolClass #52295
865366
865366: 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
- 865366Mitochondrial Fusion · compound_name
- MolClass ID
- 52295
- InChIKey
- JVTNXTPMAYXOIA-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(CNc1nc2nc(C)c(C)c(O)n2(n1))
- Standard InChI
- InChI=1S/C15H17N5O2/c1-9-10(2)17-15-18-14(19-20(15)13(9)21)16-8-11-6-4-5-7-12(11)22-3/h4-7,21H,8H2,1-3H3,(H,16,19)
- Stored Murcko scaffold
- n1cccn2nc(nc12)NCc3ccccc3
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.
- 865410#30582
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 84.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.299
- 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 · 865366