Molecule card · MolClass #2059
Trimeprazine tartrate
Trimeprazine tartrate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
3 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Trimeprazine tartrateFlucanozole Synergizer · compound_nameTRIMEPRAZINE TARTRATECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2059
- InChIKey
- ZZHLYYDVIOPZBE-UHFFFAOYSA-N
- Canonical SMILES
- CC(CN(C)C)CN3c1ccccc1Sc2ccccc23
- Standard InChI
- InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
- Stored Murcko scaffold
- S1c2ccccc2Nc3ccccc13
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 00253#500
- LOPAC 00147#826
- LOPAC 01148#887
- LOPAC 01155#918
- LOPAC 01241#1064
- Ethopropazine hydrochloride#1665
- Methotrimeprazine maleat salt#2051
- Acetopromazine maleate salt#2062
- PROPIOMAZINE MALEATE#2115
- 92-84-2#5098
- Nor-2-chlorpromazine#9154
- Desmonomethylpromazine#9252
- Nor-1-chlorpromazine#9344
- Promethazine#9345
- 652628#11011
- 3573-0047#24522
- 14743551#33120
- Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C#153649
- Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12#153713
- Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12#154040
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
- 31.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.598
- 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.
Flucanozole Synergizer
Dataset #3 · Trimeprazine tartrate
Compound accumulation in C. elegans
Dataset #4 · -0.985237368650516
BetaCell Transdifferentiation
Dataset #11 · 3044756