|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H5N.BrH/c1-2-4-6-5-3-1;/h1-5H;1H
|
|
chemicalCompound:standardIn... |
BBFCIBZLAVOLCF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Br.c1ccncc1
|
|
chemicalCompound:molecularF... |
C5H6BrN
|
|
chemicalCompound:moleculeId |
1307936
|
|
chemicalCompound:mwFreebase |
79.0999
|
|
chemicalCompound:alogp |
0.679
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.89
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.836
|
|
chemicalCompound:acdLogD |
0.833
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
160.012
|
|
chemicalCompound:acdMostBpk... |
5.229
|
|
chemicalCompound:chemblId |
CHEMBL1986645
|
|
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:8293957,
activity:8343976,
activity:8363405,
activity:8377969,
activity:8402528,
activity:8484213,
activity:8553486,
activity:8569111,
activity:8645678,
activity:8659699,
activity:8701310,
activity:8745698,
activity:8748259,
activity:8849820,
activity:8880807,
activity:8901363,
activity:8944569,
activity:9033703,
activity:9049083,
activity:9145540,
activity:9147740,
activity:9159417,
activity:9161375,
activity:9265385,
activity:9280634,
activity:9327800,
activity:9334077,
activity:9337523,
activity:9414855,
activity:9486888,
activity:9498026,
activity:9643319,
activity:9666461,
activity:9754038,
activity:9760131,
activity:9770628,
activity:9865482,
activity:9906901,
activity:9937073,
activity:9969587,
activity:10059126,
activity:10092556,
activity:10100049,
activity:10150066,
activity:10190793,
activity:10223380,
activity:10300112,
activity:10342250,
activity:10416926,
activity:10452228,
activity:10471765,
activity:10501547,
activity:10563410,
activity:10569697,
activity:10645712,
activity:10664737,
activity:10677931,
activity:10698173,
activity:10771186,
activity:10819135
|
