Molecule card · MolClass #46493
847991
847991: 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
- 847991Mitochondrial Fusion · compound_name
- MolClass ID
- 46493
- InChIKey
- SXCODSDKDIXEKV-UHFFFAOYSA-N
- Canonical SMILES
- c1cc3OCOc3(cc1Cn2cnnn2)
- Standard InChI
- InChI=1S/C9H8N4O2/c1-2-8-9(15-6-14-8)3-7(1)4-13-5-10-11-12-13/h1-3,5H,4,6H2
- Stored Murcko scaffold
- n1ncn(n1)Cc2ccc3OCOc3c2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.186 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.409
- 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 · 847991