|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H12Cl2N2O/c1-18-15(20)11-7-10(8-19-9-11)5-6-12-13(16)3-2-4-14(12)17/h2-9H,1H3,(H,18,20)/b6-5+
|
|
chemicalCompound:standardIn... |
DMGXXSZZNPKCTM-AATRIKPKSA-N
|
|
chemicalCompound:canonicalS... |
CNC(=O)c1cncc(\C=C\c2c(Cl)cccc2Cl)c1
|
|
chemicalCompound:molecularF... |
C15H12Cl2N2O
|
|
chemicalCompound:moleculeId |
364154
|
|
chemicalCompound:mwFreebase |
307.175
|
|
chemicalCompound:alogp |
3.202
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
41.99
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.295
|
|
chemicalCompound:acdLogD |
3.295
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
307.175
|
|
chemicalCompound:acdMostBpk... |
2.394
|
|
chemicalCompound:chemblId |
CHEMBL263796
|
|
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:1794490,
activity:2122571,
activity:8086855,
activity:8086856,
activity:8086857,
activity:8086858,
activity:8086859,
activity:8086860,
activity:8086861,
activity:8086862,
activity:8086863,
activity:8086864,
activity:8086865,
activity:8086866,
activity:8086867,
activity:8086868,
activity:8086869,
activity:8086870,
activity:8086871,
activity:8086872,
activity:8086873,
activity:8086874,
activity:8086875,
activity:8086876,
activity:8086877,
activity:8086878,
activity:8086879,
activity:8086880,
activity:8086881,
activity:8086882,
activity:8086883,
activity:8086884,
activity:8086885,
activity:8086886,
activity:8086887,
activity:8086888,
activity:8086889,
activity:8086890,
activity:8086891,
activity:8086892,
activity:8086893,
activity:8086894,
activity:8086895,
activity:8086896,
activity:8086897,
activity:8086898,
activity:8086899,
activity:8086900,
activity:8086901,
activity:8086902,
activity:8086903,
activity:8086904,
activity:8086905,
activity:8086906,
activity:8086907,
activity:8086908,
activity:8086909,
activity:8086910,
activity:8086911,
activity:8086912,
activity:8086913,
activity:8086914,
activity:8086915,
activity:8086916,
activity:8086917,
activity:8086918,
activity:8086919
|
