Molecule card · MolClass #45197
17403153
17403153: 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
- 17403153Mitochondrial Fusion · compound_name
- MolClass ID
- 45197
- InChIKey
- ISOZWUDENWWHCX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c3nc4nonc4(nc3(Nc2cccc(C)c2(C)))
- Standard InChI
- InChI=1S/C17H17N7O/c1-9-6-5-7-13(12(9)4)18-16-17(24-11(3)8-10(2)21-24)20-15-14(19-16)22-25-23-15/h5-8H,1-4H3,(H,18,19,22)
- Stored Murcko scaffold
- n1onc2nc(c(nc12)Nc3ccccc3)-n4nccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.235
- 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 · 17403153