|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
|
|
chemicalCompound:standardIn... |
ICUTUKXCWQYESQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
|
|
chemicalCompound:molecularF... |
C13H9Cl3N2O
|
|
chemicalCompound:moleculeId |
612198
|
|
chemicalCompound:mwFreebase |
315.582
|
|
chemicalCompound:alogp |
4.516
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
41.13
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
12.767
|
|
chemicalCompound:acdLogP |
6.073
|
|
chemicalCompound:acdLogD |
6.073
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
315.582
|
|
chemicalCompound:chemblId |
CHEMBL1076347
|
|
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 |
TRICLOCARBAM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3218595,
activity:3663619,
activity:3751258,
activity:4111837,
activity:4253996,
activity:4568223,
activity:4724780,
activity:5293310,
activity:5293377,
activity:5293444,
activity:5293511,
activity:5412410,
activity:5439915,
activity:5539993,
activity:5553945,
activity:5562674,
activity:5593399,
activity:5909848,
activity:6331699,
activity:6332584,
activity:6332588,
activity:6448783,
activity:6482598,
activity:6549502,
activity:6584714,
activity:6739285,
activity:6888358,
activity:7028280,
activity:7048692,
activity:7050129,
activity:7050658,
activity:7068026,
activity:7117813,
activity:7162995,
activity:7224324,
activity:7305740,
activity:7310148,
activity:7396313,
activity:7460915,
activity:7550135,
activity:9004497,
activity:9351301,
activity:10302268,
activity:10410591
|
