Molecule card · MolClass #43828
865374
865374: 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
- 865374Mitochondrial Fusion · compound_name
- MolClass ID
- 43828
- InChIKey
- SRJOWISKHZCADO-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3nc1CCCc1c(O)n3(n2)
- Standard InChI
- InChI=1S/C9H10N4O/c1-5-10-9-11-7-4-2-3-6(7)8(14)13(9)12-5/h14H,2-4H2,1H3
- Stored Murcko scaffold
- n1cnn2cc3c(nc12)CCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 190.202 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.903
- 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 · 865374