|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
|
|
chemicalCompound:standardIn... |
DWFZBUWUXWZWKD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C
|
|
chemicalCompound:molecularF... |
C19H25ClN2OS
|
|
chemicalCompound:moleculeId |
379514
|
|
chemicalCompound:mwFreebase |
364.933
|
|
chemicalCompound:alogp |
4.431
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
57.97
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.327
|
|
chemicalCompound:acdLogD |
4.327
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
364.933
|
|
chemicalCompound:chemblId |
CHEMBL225963
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PYRIDABEN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1873338,
activity:1917982,
activity:2357594,
activity:3632164,
activity:3695970,
activity:3767871,
activity:3785705,
activity:3869793,
activity:4285963,
activity:4333301,
activity:4592723,
activity:4717132,
activity:4905729,
activity:4962289,
activity:4968043,
activity:4968341,
activity:4986249,
activity:5482581,
activity:5665546,
activity:5762076,
activity:5863002,
activity:5946227,
activity:5961574,
activity:6426959,
activity:6469884,
activity:6562375,
activity:6663332,
activity:6729646,
activity:6776968,
activity:6796668,
activity:7004975,
activity:7026154,
activity:7052288,
activity:7059764,
activity:7062897,
activity:7066302,
activity:7227800,
activity:7271638,
activity:7333797,
activity:7460989,
activity:10621105
|
