|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H10N2O/c16-13-12-10(9-5-2-1-3-6-9)7-4-8-11(12)14-15-13/h1-8H,(H2,14,15,16)
|
|
chemicalCompound:standardIn... |
ILQIGZWJHNZUGE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1NNc2cccc(c3ccccc3)c12
|
|
chemicalCompound:molecularF... |
C13H10N2O
|
|
chemicalCompound:moleculeId |
1311125
|
|
chemicalCompound:mwFreebase |
210.231
|
|
chemicalCompound:alogp |
2.325
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
41.13
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
11.699
|
|
chemicalCompound:acdLogP |
3.131
|
|
chemicalCompound:acdLogD |
3.131
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
210.231
|
|
chemicalCompound:acdMostBpk... |
0.455
|
|
chemicalCompound:chemblId |
CHEMBL1989834
|
|
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:9512028,
activity:9515112,
activity:9519343,
activity:9519766,
activity:9519946,
activity:9520169,
activity:9520441,
activity:9524027,
activity:9532758,
activity:9532873,
activity:9544737,
activity:9565667,
activity:9570136,
activity:9575107,
activity:9577587,
activity:9583607,
activity:9583892,
activity:9584096,
activity:9586596,
activity:9588077,
activity:9589060,
activity:9593355,
activity:9594385,
activity:9595177,
activity:9595971,
activity:9599317,
activity:9601206,
activity:9601854,
activity:9606298,
activity:9606505,
activity:9607153,
activity:9609573,
activity:9611789,
activity:9616388,
activity:9617038,
activity:9620457,
activity:9625702,
activity:9626977,
activity:9628663,
activity:9629826,
activity:9630026,
activity:9631848,
activity:9648107,
activity:9648303,
activity:9652859,
activity:9661167,
activity:9665986,
activity:9669151,
activity:9678639,
activity:9682471,
activity:9690224,
activity:9694287,
activity:9694999
|
