|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H16Cl2N4O/c1-24(2)15-6-3-13(4-7-15)9-18(25-12-22-11-23-25)19(26)16-8-5-14(20)10-17(16)21/h3-12H,1-2H3/b18-9-
|
|
chemicalCompound:standardIn... |
DRUILLMXENUEEA-NVMNQCDNSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(\C=C(\C(=O)c2ccc(Cl)cc2Cl)/n3cncn3)cc1
|
|
chemicalCompound:molecularF... |
C19H16Cl2N4O
|
|
chemicalCompound:moleculeId |
912565
|
|
chemicalCompound:mwFreebase |
387.263
|
|
chemicalCompound:alogp |
4.439
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
51.02
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.319
|
|
chemicalCompound:acdLogD |
4.319
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
387.263
|
|
chemicalCompound:acdMostBpk... |
2.849
|
|
chemicalCompound:chemblId |
CHEMBL1488681
|
|
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:3623243,
activity:3628897,
activity:3788757,
activity:3806609,
activity:3997062,
activity:4029586,
activity:4071729,
activity:4119585,
activity:4210354,
activity:4338662,
activity:4592989,
activity:4749429,
activity:5391546,
activity:5504104,
activity:5520368,
activity:5807511,
activity:5907336,
activity:6463420,
activity:6721096,
activity:6760970,
activity:7075666,
activity:7181704,
activity:7218736,
activity:7367157,
activity:7530819,
activity:9812589,
activity:10672640
|
