|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
|
|
chemicalCompound:standardIn... |
CRQQGFGUEAVUIL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl
|
|
chemicalCompound:molecularF... |
C8Cl4N2
|
|
chemicalCompound:moleculeId |
488115
|
|
chemicalCompound:mwFreebase |
265.911
|
|
chemicalCompound:alogp |
4.245
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
47.58
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.042
|
|
chemicalCompound:acdLogD |
3.042
|
|
chemicalCompound:fullMwt |
265.911
|
|
chemicalCompound:chemblId |
CHEMBL468167
|
|
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 |
CHLOROTHALONIL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2215786,
activity:2313598,
activity:2681713,
activity:3764648,
activity:3882033,
activity:3963587,
activity:3992235,
activity:4067491,
activity:4117063,
activity:4195211,
activity:4410443,
activity:4487631,
activity:4526687,
activity:4533788,
activity:4572473,
activity:4725735,
activity:4769021,
activity:4787692,
activity:4870924,
activity:4878326,
activity:4983853,
activity:5002077,
activity:5041242,
activity:5066981,
activity:5857171,
activity:6447066,
activity:6448024,
activity:6469896,
activity:6562386,
activity:6581110,
activity:6735683,
activity:6750460,
activity:6783552,
activity:6870623,
activity:7011317,
activity:7014227,
activity:7022445,
activity:7047016,
activity:7048572,
activity:7059189,
activity:7228477,
activity:7442741,
activity:7457895,
activity:7460803,
activity:7472073,
activity:7550055,
activity:7551133,
activity:7945342,
activity:9812383,
activity:10076113
|
