|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
|
|
chemicalCompound:standardIn... |
MFUVCHZWGSJKEQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1Cl)N=C=O
|
|
chemicalCompound:molecularF... |
C7H3Cl2NO
|
|
chemicalCompound:moleculeId |
989589
|
|
chemicalCompound:mwFreebase |
188.011
|
|
chemicalCompound:alogp |
3.019
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
29.43
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.09
|
|
chemicalCompound:acdLogD |
4.09
|
|
chemicalCompound:fullMwt |
188.011
|
|
chemicalCompound:chemblId |
CHEMBL1565705
|
|
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:activity |
activity:3607855,
activity:3657950,
activity:3768659,
activity:3772665,
activity:3774724,
activity:3777880,
activity:3778835,
activity:3919635,
activity:3926916,
activity:3942288,
activity:3951274,
activity:3985770,
activity:4060970,
activity:4106312,
activity:4291388,
activity:4524015,
activity:4586685,
activity:4651893,
activity:4670700,
activity:4714015,
activity:4723418,
activity:4749309,
activity:4783603,
activity:4794255,
activity:4872784,
activity:4896344,
activity:4901538,
activity:4902016,
activity:4976426,
activity:4980578,
activity:5065244,
activity:6445152,
activity:6739245,
activity:7059261,
activity:7460864,
activity:7550103
|
