Molecule card · MolClass #45820
24836906
24836906: 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
- 24836906Mitochondrial Fusion · compound_name
- MolClass ID
- 45820
- InChIKey
- YPQOHDRFJNUCLR-LZYBPNLTSA-N
- Canonical SMILES
- Cc3cc(O)nc(NN=Cc2c(C)oc1ccccc12)n3
- Standard InChI
- InChI=1S/C15H14N4O2/c1-9-7-14(20)18-15(17-9)19-16-8-12-10(2)21-13-6-4-3-5-11(12)13/h3-8H,1-2H3,(H2,17,18,19,20)/b16-8+
- Stored Murcko scaffold
- N(=Cc1coc2ccccc21)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.61
- 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 · 24836906