Molecule card · MolClass #35798
14727201
14727201: 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
- 14727201Mitochondrial Fusion · compound_name
- MolClass ID
- 35798
- InChIKey
- QAAHEEMRGUMKBO-UHFFFAOYSA-N
- Canonical SMILES
- N#CC2C(C#N)N3CCCN3(C2(c1ccc(cc1)Cl))
- Standard InChI
- InChI=1S/C14H13ClN4/c15-11-4-2-10(3-5-11)14-12(8-16)13(9-17)18-6-1-7-19(14)18/h2-5,12-14H,1,6-7H2
- Stored Murcko scaffold
- c1ccc(cc1)C2N3N(CCC3)CC2
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.
- 26663608#25827
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.733 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.884
- 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 · 14727201