|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
|
|
chemicalCompound:standardIn... |
XEFQLINVKFYRCS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
|
|
chemicalCompound:molecularF... |
C12H7Cl3O2
|
|
chemicalCompound:moleculeId |
64200
|
|
chemicalCompound:mwFreebase |
289.542
|
|
chemicalCompound:alogp |
5.141
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.46
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.801
|
|
chemicalCompound:acdLogP |
5.343
|
|
chemicalCompound:acdLogD |
5.198
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
289.542
|
|
chemicalCompound:chemblId |
CHEMBL849
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 |
TRICLOSAN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1997
|
|
chemicalCompound:activity |
activity:65124,
activity:65125,
activity:65126,
activity:65127,
activity:65128,
activity:65129,
activity:65130,
activity:65131,
activity:65132,
activity:65133,
activity:763821,
activity:763822,
activity:763823,
activity:763824,
activity:956254,
activity:956255,
activity:956256,
activity:956257,
activity:956258,
activity:1056039,
activity:1056040,
activity:1056041,
activity:1056042,
activity:1056043,
activity:1234829,
activity:1234830,
activity:1234831,
activity:1234832,
activity:1657164,
activity:1657167,
activity:1657295,
activity:1700194,
activity:1706342,
activity:1706372,
activity:1816210,
activity:1816211,
activity:1816212,
activity:1816213,
activity:1816214,
activity:1816215,
activity:1816216,
activity:1816217,
activity:1816218,
activity:1816219,
activity:1816220,
activity:1816221,
activity:1816222,
activity:1816223,
activity:1816224,
activity:1827819,
activity:1827820,
activity:1827846,
activity:1827847,
activity:1828001,
activity:1828002,
activity:1828059,
activity:1828061
|
