|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
|
|
chemicalCompound:standardIn... |
YHPLKWQJMAYFCN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCCNCCS
|
|
chemicalCompound:molecularF... |
C5H14N2S
|
|
chemicalCompound:moleculeId |
675333
|
|
chemicalCompound:mwFreebase |
134.243
|
|
chemicalCompound:alogp |
-0.551
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
76.84
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
9.998
|
|
chemicalCompound:acdLogP |
0.352
|
|
chemicalCompound:acdLogD |
-2.788
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
134.243
|
|
chemicalCompound:acdMostBpk... |
10.275
|
|
chemicalCompound:chemblId |
CHEMBL1201382
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
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 |
WR-1065
|
|
chemicalCompound:activity |
activity:8263089,
activity:8312759,
activity:8327937,
activity:8417791,
activity:8433691,
activity:8448980,
activity:8517867,
activity:8533388,
activity:8614210,
activity:8670605,
activity:8690859,
activity:8785793,
activity:8788416,
activity:8818425,
activity:8870250,
activity:8916926,
activity:8984498,
activity:9013459,
activity:9047256,
activity:9108238,
activity:9110560,
activity:9177224,
activity:9201836,
activity:9234737,
activity:9245609,
activity:9303301,
activity:9319966,
activity:9340895,
activity:9379865,
activity:9452412,
activity:9636907,
activity:9656093,
activity:9718850,
activity:9729426,
activity:9808753,
activity:9876257,
activity:9905230,
activity:9938929,
activity:9976769,
activity:10093928,
activity:10105677,
activity:10113175,
activity:10185545,
activity:10197145,
activity:10230411,
activity:10269916,
activity:10385814,
activity:10455325,
activity:10461020,
activity:10507255,
activity:10514755,
activity:10540015,
activity:10615626,
activity:10630464,
activity:10733624,
activity:10810450,
activity:10821502
|
