Molecule card · MolClass #39473
17431767
17431767: 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
- 17431767Mitochondrial Fusion · compound_name
- MolClass ID
- 39473
- InChIKey
- VGQROOFMJFFLIS-CIAFOILYSA-N
- Canonical SMILES
- Cc4cccc(C=Nc1ccc3CCc2cccc1c23)c4(O)
- Standard InChI
- InChI=1S/C20H17NO/c1-13-4-2-6-16(20(13)22)12-21-18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h2-7,10-12,22H,8-9H2,1H3/b21-12+
- Stored Murcko scaffold
- N(=Cc1ccccc1)c2ccc3c4c2cccc4CC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.786
- 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 · 17431767