Molecule card · MolClass #9107
Thioridazine
Thioridazine: 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
- ThioridazineBlood Brain Barrier · compound_name
- MolClass ID
- 9107
- InChIKey
- KLBQZWRITKRQQV-INIZCTEOSA-N
- Canonical SMILES
- CN4CCCCC4(CCN3c1ccccc1Sc2ccc(cc23)SC)
- Standard InChI
- InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1
- Stored Murcko scaffold
- S1c2ccccc2N(c3ccccc13)CCC4NCCCC4
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.
- LOPAC 00320#1167
- Mesoridazine besylate#2038
- Mesoridazine#9115
- Northioridazine#9119
- Sulforidazine#9128
- Cl.CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1#151952
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.577 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.944
- 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.
Blood Brain Barrier
Dataset #7 · Thioridazine