Molecule card · MolClass #38691
14729340
14729340: 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
- 14729340Mitochondrial Fusion · compound_name
- MolClass ID
- 38691
- InChIKey
- UKFYAOLFCMWYQE-UHFFFAOYSA-N
- Canonical SMILES
- CCN1N=C(Cn2c3ccccc3(nc12))c4ccccc4
- Standard InChI
- InChI=1S/C17H16N4/c1-2-21-17-18-14-10-6-7-11-16(14)20(17)12-15(19-21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
- Stored Murcko scaffold
- N=1Nc2nc3ccccc3n2CC1c4ccccc4
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.
- 14732635#42543
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.113
- 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 · 14729340