Molecule card · MolClass #42253
14733799
14733799: 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
- 14733799Mitochondrial Fusion · compound_name
- MolClass ID
- 42253
- InChIKey
- OZISUROFJWDSRG-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)C3=C(N)C(=O)Oc2ccccc23
- Standard InChI
- InChI=1S/C14H17N3O2/c1-16-6-8-17(9-7-16)13-10-4-2-3-5-11(10)19-14(18)12(13)15/h2-5H,6-9,15H2,1H3
- Stored Murcko scaffold
- O1[CH]C=C(c2ccccc12)N3CCNCC3
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
- 4
- 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
- 58.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.008
- 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 · 14733799