Molecule card · MolClass #51859
14724323
14724323: 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
- 14724323Mitochondrial Fusion · compound_name
- MolClass ID
- 51859
- InChIKey
- ZVECUHIVPCIEDV-UHFFFAOYSA-N
- Canonical SMILES
- N=C3C=1CCCCC=1N(Cc2cccc(c2)Cl)C=4CCCC3=4
- Standard InChI
- InChI=1S/C19H21ClN2/c20-14-6-3-5-13(11-14)12-22-17-9-2-1-7-15(17)19(21)16-8-4-10-18(16)22/h3,5-6,11,21H,1-2,4,7-10,12H2
- Stored Murcko scaffold
- c1ccc(cc1)CN2C3=C([CH]C4=C2CCCC4)CCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 27.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.837 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.494
- 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 · 14724323