|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
|
|
chemicalCompound:standardIn... |
GCZZOZBWAZHCAN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
S=C(Nc1ccccc1)Nc2nccs2
|
|
chemicalCompound:molecularF... |
C10H9N3S2
|
|
chemicalCompound:moleculeId |
705350
|
|
chemicalCompound:mwFreebase |
235.329
|
|
chemicalCompound:alogp |
2.891
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
97.28
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
11.659
|
|
chemicalCompound:acdLogP |
2.374
|
|
chemicalCompound:acdLogD |
2.374
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
235.329
|
|
chemicalCompound:acdMostBpk... |
2.822
|
|
chemicalCompound:chemblId |
CHEMBL1256364
|
|
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:activity |
activity:3481316,
activity:3481347,
activity:3481412,
activity:3481549,
activity:3481596,
activity:3482341,
activity:3482387,
activity:3635053,
activity:3651374,
activity:3671828,
activity:3692447,
activity:3695187,
activity:3701075,
activity:3756990,
activity:3780183,
activity:3785641,
activity:3798352,
activity:3808960,
activity:3821317,
activity:3845922,
activity:3857782,
activity:3866726,
activity:3937964,
activity:3940489,
activity:3988079,
activity:4014161,
activity:4148389,
activity:4278534,
activity:4295330,
activity:4358822,
activity:4371698,
activity:4388179,
activity:4393071,
activity:4402459,
activity:4437021,
activity:4437909,
activity:4522714,
activity:4524017,
activity:4535845,
activity:4538208,
activity:4550758,
activity:4581761,
activity:4581787,
activity:4583842,
activity:4588976,
activity:4612068,
activity:4651898,
activity:4692340,
activity:4736755,
activity:4745919,
activity:4787556,
activity:4805574,
activity:4839890,
activity:4849434,
activity:4894127,
activity:4908920,
activity:4921918,
activity:4954125,
activity:4966384,
activity:4969946,
activity:4993656,
activity:5058760,
activity:5065274,
activity:5070325,
activity:5337535,
activity:5355725
|
