Molecule card · MolClass #2359
cis-(Z)-Flupenthixol dihydrochloride
cis-(Z)-Flupenthixol dihydrochloride: 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
- cis-(Z)-Flupenthixol dihydrochlorideCompound accumulation in C. elegans · compound_name
- MolClass ID
- 2359
- InChIKey
- NJMYODHXAKYRHW-UHFFFAOYSA-N
- Canonical SMILES
- OCCN4CCN(CCC=C2c1ccccc1Sc3ccc(cc23)C(F)(F)F)CC4
- Standard InChI
- InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2
- Stored Murcko scaffold
- S1c2ccccc2C(=CCCN3CCNCC3)c4ccccc14
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.423
- 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.
Compound accumulation in C. elegans
Dataset #4 · -5.09553977602234