Molecule card · MolClass #35572
14721098
14721098: 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
- 14721098Mitochondrial Fusion · compound_name
- MolClass ID
- 35572
- InChIKey
- NAURTZHMEYTTKR-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(C(c1ccco1)=[N+]([O-])C2(CCCCC2(=O))N3(O))
- Standard InChI
- InChI=1S/C14H18N2O4/c1-13(2)12(10-6-5-9-20-10)15(18)14(16(13)19)8-4-3-7-11(14)17/h5-6,9,19H,3-4,7-8H2,1-2H3
- Stored Murcko scaffold
- o1cccc1C2=[NH+]C3([CH]CCCC3)NC2
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
- 1
- 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
- 79.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.464
- 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 · 14721098