Molecule card · MolClass #35736
4246075
4246075: 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
- 4246075Mitochondrial Fusion · compound_name
- MolClass ID
- 35736
- InChIKey
- YDVFNELOOIFGSC-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2c(c1)CCCn3nnnc23
- Standard InChI
- InChI=1S/C10H10N4/c1-2-6-9-8(4-1)5-3-7-14-10(9)11-12-13-14/h1-2,4,6H,3,5,7H2
- Stored Murcko scaffold
- n1nc2-c3ccccc3CCCn2n1
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 186.214 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.063
- 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 · 4246075