|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
|
|
chemicalCompound:standardIn... |
IAKOZHOLGAGEJT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
|
|
chemicalCompound:molecularF... |
C16H15Cl3O2
|
|
chemicalCompound:moleculeId |
328167
|
|
chemicalCompound:mwFreebase |
345.648
|
|
chemicalCompound:alogp |
4.969
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
18.46
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.066
|
|
chemicalCompound:acdLogD |
5.066
|
|
chemicalCompound:fullMwt |
345.648
|
|
chemicalCompound:chemblId |
CHEMBL362919
|
|
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 |
METHOXYCHLOR
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1605715,
activity:2381079,
activity:2381080,
activity:2381081,
activity:2381082,
activity:2381083,
activity:2381084,
activity:2381085,
activity:2381086,
activity:2381087,
activity:2381088,
activity:2381175,
activity:2381176,
activity:2381177,
activity:2381178,
activity:2381179,
activity:2381180,
activity:2381181,
activity:2381182,
activity:2381183,
activity:2381184,
activity:2381185,
activity:2381186,
activity:2381187,
activity:2381188,
activity:2381189,
activity:2381190,
activity:2381191,
activity:2381192,
activity:2381193,
activity:2381194,
activity:2381195,
activity:2381196,
activity:2381197,
activity:2381198,
activity:2381305,
activity:2381311,
activity:2397453,
activity:2397458,
activity:2397466,
activity:2397468,
activity:2397476,
activity:3894738,
activity:3919081,
activity:3925670,
activity:3928588,
activity:3988896,
activity:4129501,
activity:4234018,
activity:4417998,
activity:4524770,
activity:4617733,
activity:4620195,
activity:4623190,
activity:4633209,
activity:4655468,
activity:4670706,
activity:4864967,
activity:4865007,
activity:5405674,
activity:5836267,
activity:5957772,
activity:6447126,
activity:6448787,
activity:6469841,
activity:6471520,
activity:6471575
|
