Molecule card · MolClass #38268
14742068
14742068: 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
- 14742068Mitochondrial Fusion · compound_name
- MolClass ID
- 38268
- InChIKey
- LXJZXMNXOKMEGK-UHFFFAOYSA-N
- Canonical SMILES
- CCN1C(=O)N(C(C)=CC1(C)(C))c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C15H19ClN2O/c1-5-17-14(19)18(11(2)10-15(17,3)4)13-8-6-12(16)7-9-13/h6-10H,5H2,1-4H3
- Stored Murcko scaffold
- [N]1[CH]N(C=CC1)c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.778 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.345
- 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 · 14742068