Molecule card · MolClass #36208
4257020
4257020: 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
- 4257020Mitochondrial Fusion · compound_name
- MolClass ID
- 36208
- InChIKey
- QRCXOPVLTRKBDO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(nnn1c2nonc2(N))C(=O)N3CCCC3
- Standard InChI
- InChI=1S/C10H13N7O2/c1-6-7(10(18)16-4-2-3-5-16)12-15-17(6)9-8(11)13-19-14-9/h2-5H2,1H3,(H2,11,13)
- Stored Murcko scaffold
- n1nn(cc1[CH]N2CCCC2)-c3nonc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.643
- 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 · 4257020