Molecule card · MolClass #40592
4260169
4260169: 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
- 4260169Mitochondrial Fusion · compound_name
- MolClass ID
- 40592
- InChIKey
- FZUNCZJIZJBBHX-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(c1ccccc1)n3ncnc3(N2)
- Standard InChI
- InChI=1S/C11H10N4O/c16-10-6-9(8-4-2-1-3-5-8)15-11(14-10)12-7-13-15/h1-5,7,9H,6H2,(H,12,13,14,16)
- Stored Murcko scaffold
- n1cnn2c1N[CH]CC2c3ccccc3
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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 214.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.983
- 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 · 4260169