Molecule card · MolClass #35553
14724814
14724814: 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
- 14724814Mitochondrial Fusion · compound_name
- MolClass ID
- 35553
- InChIKey
- ZJYWJQQAVHSVOZ-UHFFFAOYSA-N
- Canonical SMILES
- OC14(c5nonc5(CCC4(=[N+]([O-])C2(CCCCC12)N3CCOCC3)))
- Standard InChI
- InChI=1S/C16H22N4O4/c21-16-12-3-1-2-6-15(12,19-7-9-23-10-8-19)20(22)13(16)5-4-11-14(16)18-24-17-11/h12,21H,1-10H2
- Stored Murcko scaffold
- n1onc2c1CCC3=[NH+]C4(N5CCOCC5)CCCCC4C23
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.443
- 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 · 14724814