|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
|
|
chemicalCompound:standardIn... |
KRXMYBAZKJBJAB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(cc1)N2Sc3ccccc3C2=O
|
|
chemicalCompound:molecularF... |
C14H11NOS
|
|
chemicalCompound:moleculeId |
760843
|
|
chemicalCompound:mwFreebase |
241.308
|
|
chemicalCompound:alogp |
3.644
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
45.61
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.799
|
|
chemicalCompound:acdLogD |
3.799
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
241.308
|
|
chemicalCompound:chemblId |
CHEMBL1336959
|
|
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:3621387,
activity:3659681,
activity:3719458,
activity:3769128,
activity:3846662,
activity:3889607,
activity:3903090,
activity:3929382,
activity:3956391,
activity:4007885,
activity:4049001,
activity:4077191,
activity:4089336,
activity:4105355,
activity:4154885,
activity:4251812,
activity:4281353,
activity:4301191,
activity:4301679,
activity:4308576,
activity:4386724,
activity:4404163,
activity:4451570,
activity:4507363,
activity:4517989,
activity:4529131,
activity:4611400,
activity:4637623,
activity:4670968,
activity:4716672,
activity:4779583,
activity:4780488,
activity:4815180,
activity:4823207,
activity:4830330,
activity:4916969,
activity:4945565,
activity:5000497,
activity:5010739,
activity:5013639,
activity:5045182,
activity:5331821,
activity:5371623,
activity:5403944,
activity:5503452,
activity:5527873,
activity:5531729,
activity:5536288,
activity:5558586,
activity:5560575,
activity:5566641,
activity:5566660,
activity:5574999,
activity:5596726,
activity:5638381,
activity:5652833,
activity:5653641,
activity:5663416,
activity:5674850,
activity:5699861,
activity:5807081,
activity:5885773,
activity:5960377,
activity:5982891,
activity:5982948,
activity:6190155,
activity:6190187,
activity:6437580
|
