Molecule card · MolClass #50844
17431822
17431822: 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
- 17431822Mitochondrial Fusion · compound_name
- MolClass ID
- 50844
- InChIKey
- HJUQEHMVHMIPBW-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)Cc2c(c1ccccc1n2(C))Sc3ccccc3
- Standard InChI
- InChI=1S/C19H19NO2S/c1-3-22-18(21)13-17-19(23-14-9-5-4-6-10-14)15-11-7-8-12-16(15)20(17)2/h4-12H,3,13H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)c2c[nH]c3ccccc23
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.81
- 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 · 17431822