Molecule card · MolClass #35881
14732612
14732612: 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
- 14732612Mitochondrial Fusion · compound_name
- MolClass ID
- 35881
- InChIKey
- WDPUQPVIFCAYLD-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1nnn(c1(CCl))c2nonc2n3cccc3
- Standard InChI
- InChI=1S/C12H11ClN6O3/c1-2-21-12(20)9-8(7-13)19(17-14-9)11-10(15-22-16-11)18-5-3-4-6-18/h3-6H,2,7H2,1H3
- Stored Murcko scaffold
- n1nn(cc1)-c2nonc2-n3cccc3
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.
- 4262201#35901
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.708 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.67
- 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 · 14732612