Molecule card · MolClass #51437
14743186
14743186: 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
- 14743186Mitochondrial Fusion · compound_name
- MolClass ID
- 51437
- InChIKey
- DHRWDWMRDVBXBM-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=O)Oc2cc(ccc12)OCC3CC(=NO3)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C20H16ClNO4/c1-12-8-20(23)25-19-10-15(6-7-17(12)19)24-11-16-9-18(22-26-16)13-2-4-14(21)5-3-13/h2-8,10,16H,9,11H2,1H3
- Stored Murcko scaffold
- N=1OC(COc2ccc3C=C[CH]Oc3c2)CC1c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.799 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.887
- 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 · 14743186