|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;/h6-13,15H,4-5,14H2,1-3H3;1H
|
|
chemicalCompound:standardIn... |
VXPCQISYVPFYRK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13
|
|
chemicalCompound:molecularF... |
C19H25ClN2S
|
|
chemicalCompound:moleculeId |
674921
|
|
chemicalCompound:mwFreebase |
312.472
|
|
chemicalCompound:alogp |
5.088
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
31.78
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.905
|
|
chemicalCompound:acdLogD |
3.567
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
348.933
|
|
chemicalCompound:acdMostBpk... |
9.882
|
|
chemicalCompound:chemblId |
CHEMBL1200970
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ETHOPROPAZINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3713754,
activity:3743129,
activity:3881527,
activity:3930974,
activity:3960433,
activity:4067011,
activity:4171974,
activity:4465913,
activity:4499155,
activity:4531145,
activity:4548065,
activity:4582409,
activity:4713766,
activity:4793040,
activity:4862407,
activity:4967429,
activity:4989984,
activity:5058945,
activity:5120453,
activity:5120484,
activity:5120518,
activity:5120527,
activity:5120530,
activity:5195522,
activity:5195545,
activity:5195568,
activity:5195574,
activity:5195580,
activity:5863326,
activity:6150774,
activity:6150795,
activity:6150816,
activity:6150822,
activity:6150828,
activity:6449027,
activity:7033193,
activity:7431586,
activity:7529014,
activity:7548643
|
