Molecule card · MolClass #51552
14737419
14737419: 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
- 14737419Mitochondrial Fusion · compound_name
- MolClass ID
- 51552
- InChIKey
- IKRFCLVDCGHBLJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccco1)c3cn(Cc2ccc(cc2)Cl)c4ccccc34
- Standard InChI
- InChI=1S/C20H14ClNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2
- Stored Murcko scaffold
- o1cccc1[CH]c2cn(c3ccccc23)Cc4ccccc4
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
- 35.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.784 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.983
- 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 · 14737419