Molecule card · MolClass #35629
3715722
3715722: 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
- 3715722Mitochondrial Fusion · compound_name
- MolClass ID
- 35629
- InChIKey
- QZEHMNCVKZWEHI-UHFFFAOYSA-N
- Canonical SMILES
- Nc3ncnc2c3(ncn2(C1CCC(CO)C(O)C1))
- Standard InChI
- InChI=1S/C12H17N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(4-18)9(19)3-8/h5-9,18-19H,1-4H2,(H2,13,14,15)
- Stored Murcko scaffold
- n1cnc2c(ncn2C3CCCCC3)c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.148
- 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 · 3715722