|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
|
|
chemicalCompound:standardIn... |
JJDHAOLOHQTGMG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C3=NCCO3)on1
|
|
chemicalCompound:molecularF... |
C18H20Cl2N2O3
|
|
chemicalCompound:moleculeId |
669
|
|
chemicalCompound:mwFreebase |
383.269
|
|
chemicalCompound:alogp |
4.956
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
56.85
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.775
|
|
chemicalCompound:acdLogD |
4.775
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
383.269
|
|
chemicalCompound:acdMostBpk... |
3.765
|
|
chemicalCompound:chemblId |
CHEMBL6594
|
|
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 |
WIN-54954
|
|
chemicalCompound:activity |
activity:391664,
activity:391665,
activity:391666,
activity:391667,
activity:391668,
activity:391669,
activity:391670,
activity:391671,
activity:391672,
activity:391673,
activity:391674,
activity:391675,
activity:391676,
activity:391677,
activity:391678,
activity:391679,
activity:391680,
activity:391681,
activity:391682,
activity:391683,
activity:391684,
activity:391685,
activity:391686,
activity:391687,
activity:391688,
activity:391689,
activity:391690,
activity:391691,
activity:391692,
activity:391693,
activity:391694,
activity:391695,
activity:391696,
activity:391697,
activity:391698,
activity:391699,
activity:391700,
activity:391701,
activity:391702,
activity:391703,
activity:391704,
activity:391705,
activity:391706,
activity:391707,
activity:391708,
activity:391709,
activity:559886,
activity:559887,
activity:559888,
activity:559889,
activity:559890,
activity:559891,
activity:559892,
activity:559893,
activity:559894,
activity:559895,
activity:559896,
activity:559897,
activity:559898,
activity:559899,
activity:559900,
activity:559901,
activity:635837,
activity:635838,
activity:635839
|
