Molecule card · MolClass #2115
PROPIOMAZINE MALEATE
PROPIOMAZINE MALEATE: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- PROPIOMAZINE MALEATECompound accumulation in C. elegans · compound_name
- MolClass ID
- 2115
- InChIKey
- UVOIBTBFPOZKGP-UHFFFAOYSA-N
- Canonical SMILES
- CCC(=O)c1ccc3c(c1)N(CC(C)N(C)C)c2ccccc2S3
- Standard InChI
- InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3
- 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
- Trimeprazine tartrate#2059
- Acetopromazine maleate salt#2062
- 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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.484 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.533
- 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 · -1.62494126268762
BetaCell Transdifferentiation
Dataset #11 · 937