Structure

InChI Key VOYCNOJFAJAILW-CAMHOICYSA-N
Smile CSCC[C@H](N)C(=O)N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21
InChI
InChI=1S/C12H18N2O7S2/c1-22-3-2-5(13)9(15)14-12(11(18)19)4-23(20,21)8-6(7(8)12)10(16)17/h5-8H,2-4,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t5-,6+,7+,8-,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O7S2
Molecular Weight 366.42
AlogP -1.87
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 163.86
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Reference
Schizophrenia Phase 1 ClinicalTrials
Schizophrenia Phase 3 ClinicalTrials
Schizophrenia Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2110730
EPA CompTox DTXSID00212944
FDA SRS WE665JB15R
PharmGKB PA165816891
PubChem 25195354
SureChEMBL SCHEMBL1101575