Molecule card · MolClass #35848
14719017
14719017: 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
- 14719017Mitochondrial Fusion · compound_name
- MolClass ID
- 35848
- InChIKey
- CKPOGOLZTBRIOB-UHFFFAOYSA-N
- Canonical SMILES
- OCCN2C=Nc3nc1CCCn1c3(C2(=O))
- Standard InChI
- InChI=1S/C10H12N4O2/c15-5-4-13-6-11-9-8(10(13)16)14-3-1-2-7(14)12-9/h6,15H,1-5H2
- Stored Murcko scaffold
- n1cnc2nc3n(c2c1)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.
- 24784338#27075
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.574
- 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 · 14719017