Molecule card · MolClass #45779
14738838
14738838: 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
- 14738838Mitochondrial Fusion · compound_name
- MolClass ID
- 45779
- InChIKey
- MOMPGNROAMNSLG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c(OCCN1C(=O)NC(C)(C)C1(=O))c(c2)Cl
- Standard InChI
- InChI=1S/C15H19ClN2O3/c1-9-7-10(2)12(11(16)8-9)21-6-5-18-13(19)15(3,4)17-14(18)20/h7-8H,5-6H2,1-4H3,(H,17,20)
- Stored Murcko scaffold
- O(c1ccccc1)CCN2[CH]NC[CH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.776 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.901
- 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 · 14738838