Molecule card · MolClass #37499
14730294
14730294: 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
- 14730294Mitochondrial Fusion · compound_name
- MolClass ID
- 37499
- InChIKey
- ZWHQQFNVFAAUNN-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(C1)=NNc2nnc(c3ccccc23)Cl
- Standard InChI
- InChI=1S/C13H13ClN4/c14-12-10-7-3-4-8-11(10)13(18-16-12)17-15-9-5-1-2-6-9/h3-4,7-8H,1-2,5-6H2,(H,17,18)
- Stored Murcko scaffold
- n1nc(NN=C2CCCC2)c3ccccc3c1
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
- 4
- 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
- 50.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.723 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.597
- 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 · 14730294