|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
|
|
chemicalCompound:standardIn... |
LEZWWPYKPKIXLL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1
|
|
chemicalCompound:molecularF... |
C18H15Cl3N2O
|
|
chemicalCompound:moleculeId |
52874
|
|
chemicalCompound:mwFreebase |
381.684
|
|
chemicalCompound:alogp |
4.981
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
27.05
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.483
|
|
chemicalCompound:acdLogD |
4.408
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
381.684
|
|
chemicalCompound:acdMostBpk... |
6.676
|
|
chemicalCompound:chemblId |
CHEMBL808
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ECONAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:44118,
activity:44119,
activity:44120,
activity:142753,
activity:368943,
activity:368944,
activity:368945,
activity:368946,
activity:368947,
activity:368948,
activity:368949,
activity:1030488,
activity:1463550,
activity:1463551,
activity:1463552,
activity:1463553,
activity:1463554,
activity:1463555,
activity:1463556,
activity:1463557,
activity:1463558,
activity:1463559,
activity:2122888,
activity:2414673,
activity:2461188,
activity:2461189,
activity:2461190,
activity:2462307,
activity:2462308,
activity:2462309,
activity:2462460,
activity:2462461,
activity:2463602,
activity:2463630,
activity:2463695,
activity:2463783,
activity:2463784,
activity:2463803,
activity:2463804,
activity:2463805,
activity:2463894,
activity:2463900,
activity:2686205,
activity:3128655,
activity:3128660,
activity:3512990,
activity:3512991,
activity:3513000,
activity:3513001,
activity:3541326,
activity:3541327,
activity:3541328,
activity:3541329,
activity:3542374,
activity:3542381,
activity:5147646,
activity:5147650,
activity:5147654,
activity:5178890
|
