|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12BrN3/c11-9-3-5-10(6-4-9)12-13-14-7-1-2-8-14/h3-6H,1-2,7-8H2/b13-12+
|
|
chemicalCompound:standardIn... |
VNIADXHPZRPGIW-OUKQBFOZSA-N
|
|
chemicalCompound:canonicalS... |
Brc1ccc(cc1)N=NN2CCCC2
|
|
chemicalCompound:molecularF... |
C10H12BrN3
|
|
chemicalCompound:moleculeId |
568952
|
|
chemicalCompound:mwFreebase |
254.126
|
|
chemicalCompound:alogp |
3.423
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
27.96
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.924
|
|
chemicalCompound:acdLogD |
3.924
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
254.126
|
|
chemicalCompound:acdMostBpk... |
1.347
|
|
chemicalCompound:chemblId |
CHEMBL573628
|
|
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:2913463,
activity:2913509,
activity:2913567,
activity:2913625,
activity:2913683,
activity:2913741,
activity:2913799,
activity:2914229,
activity:2914320,
activity:2914378,
activity:2914982,
activity:2915007,
activity:2915032,
activity:8241286,
activity:8270837,
activity:8301467,
activity:8362309,
activity:8385373,
activity:8391913,
activity:8489091,
activity:8567791,
activity:8574137,
activity:8634606,
activity:8650673,
activity:8715096,
activity:8722047,
activity:8755226,
activity:8762304,
activity:8859567,
activity:8890395,
activity:8958365,
activity:9012590,
activity:9058842,
activity:9084483,
activity:9135122,
activity:9170988,
activity:9279338,
activity:9281287,
activity:9347833,
activity:9417436,
activity:9424204,
activity:9496325,
activity:9503067,
activity:9534478,
activity:9675210,
activity:9707904,
activity:9750355,
activity:9854591,
activity:9883614,
activity:9921636,
activity:9950864,
activity:9988067,
activity:10046782,
activity:10068428,
activity:10159469,
activity:10162057,
activity:10213428,
activity:10241654,
activity:10294316,
activity:10364459,
activity:10388081,
activity:10411260,
activity:10434382,
activity:10485659,
activity:10583032,
activity:10663448,
activity:10669642
|
