Molecule card · MolClass #45466
14727687
14727687: 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
- 14727687Mitochondrial Fusion · compound_name
- MolClass ID
- 45466
- InChIKey
- ZIJXMESKIWZWSO-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c3c4CCCc4(c(C#N)c2nc1ccccc1n23)
- Standard InChI
- InChI=1S/C19H20N4/c1-3-22(4-2)19-14-9-7-8-13(14)15(12-20)18-21-16-10-5-6-11-17(16)23(18)19/h5-6,10-11H,3-4,7-9H2,1-2H3
- Stored Murcko scaffold
- n1c2ccccc2n3cc4c(cc13)CCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.476
- 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 · 14727687