|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
|
|
chemicalCompound:standardIn... |
OCAPBUJLXMYKEJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccc(cc1)C(c2ccc(cc2)c3ccccc3)n4ccnc4
|
|
chemicalCompound:molecularF... |
C22H18N2
|
|
chemicalCompound:moleculeId |
16973
|
|
chemicalCompound:mwFreebase |
310.392
|
|
chemicalCompound:alogp |
4.637
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.82
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.689
|
|
chemicalCompound:acdLogD |
4.632
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
310.392
|
|
chemicalCompound:acdMostBpk... |
6.55
|
|
chemicalCompound:chemblId |
CHEMBL277535
|
|
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 |
BIFONAZOLE
|
|
chemicalCompound:activity |
activity:74833,
activity:91675,
activity:91676,
activity:91677,
activity:91678,
activity:91679,
activity:91680,
activity:91681,
activity:91682,
activity:91683,
activity:91684,
activity:91685,
activity:91686,
activity:91687,
activity:91688,
activity:91689,
activity:91690,
activity:91691,
activity:91692,
activity:91693,
activity:91694,
activity:285987,
activity:547917,
activity:547918,
activity:547919,
activity:584210,
activity:584211,
activity:584212,
activity:860955,
activity:986530,
activity:1053575,
activity:1262972,
activity:1262973,
activity:1262974,
activity:1262975,
activity:1262976,
activity:1262977,
activity:1262978,
activity:1262979,
activity:1262980,
activity:1262981,
activity:1262982,
activity:1262983,
activity:1262984,
activity:1262985,
activity:1262986,
activity:1262987,
activity:1262988,
activity:1262989,
activity:1262990,
activity:1493335,
activity:1493336,
activity:1493337,
activity:1493338,
activity:2091793,
activity:2091794,
activity:2091813,
activity:2091814,
activity:2091833,
activity:2091834,
activity:2091853,
activity:2091854,
activity:2091873,
activity:2091874,
activity:2091909
|
