Molecule card · MolClass #47255
24833225
24833225: 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
- 24833225Mitochondrial Fusion · compound_name
- MolClass ID
- 47255
- InChIKey
- ZUYRXTXLPACQRM-VCHYOVAHSA-N
- Canonical SMILES
- Cc3cc(O)nc(NN=Cc1c(C)nn(c1(C))c2ccccc2)n3
- Standard InChI
- InChI=1S/C17H18N6O/c1-11-9-16(24)20-17(19-11)21-18-10-15-12(2)22-23(13(15)3)14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,19,20,21,24)/b18-10+
- Stored Murcko scaffold
- N(=Cc1cnn(c1)-c2ccccc2)Nc3ncccn3
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
- 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
- 88.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.889
- 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 · 24833225