|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
|
|
chemicalCompound:standardIn... |
VQJHOPSWBGJHQS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2
|
|
chemicalCompound:molecularF... |
C11H10Cl2N4
|
|
chemicalCompound:moleculeId |
66251
|
|
chemicalCompound:mwFreebase |
269.13
|
|
chemicalCompound:alogp |
2.747
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
77.81
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.772
|
|
chemicalCompound:acdLogD |
2.674
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
269.13
|
|
chemicalCompound:acdMostBpk... |
6.798
|
|
chemicalCompound:chemblId |
CHEMBL264373
|
|
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 |
METOPRINE
|
|
chemicalCompound:activity |
activity:180113,
activity:180114,
activity:203336,
activity:253006,
activity:253007,
activity:253008,
activity:413387,
activity:413388,
activity:558711,
activity:558712,
activity:608379,
activity:608380,
activity:608381,
activity:608382,
activity:608383,
activity:608384,
activity:608385,
activity:608386,
activity:608387,
activity:608388,
activity:608389,
activity:608390,
activity:608391,
activity:720268,
activity:720269,
activity:985952,
activity:985953,
activity:985954,
activity:1078209,
activity:1078210,
activity:1078211,
activity:2486432,
activity:2811608,
activity:2858442,
activity:2865314,
activity:2871493,
activity:2876612,
activity:2880237,
activity:5486988,
activity:6973269,
activity:7199768,
activity:7431537,
activity:7526045,
activity:8236404,
activity:8292314,
activity:8305211,
activity:8357458,
activity:8391259,
activity:8411523,
activity:8473230,
activity:8497472,
activity:8510657,
activity:8562771,
activity:8587480,
activity:8668699,
activity:8714569,
activity:8759081,
activity:8761663,
activity:8843489,
activity:8863382,
activity:8894258,
activity:8914817,
activity:8957894,
activity:9038239,
activity:9061601
|
