|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
|
|
chemicalCompound:standardIn... |
SUGXUUGGLDCZKB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClC1=C(Cl)c2ccccc2C(=O)O1
|
|
chemicalCompound:molecularF... |
C9H4Cl2O2
|
|
chemicalCompound:moleculeId |
32349
|
|
chemicalCompound:mwFreebase |
215.033
|
|
chemicalCompound:alogp |
2.758
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.151
|
|
chemicalCompound:acdLogD |
4.151
|
|
chemicalCompound:fullMwt |
215.033
|
|
chemicalCompound:chemblId |
CHEMBL24983
|
|
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:142760,
activity:142761,
activity:142762,
activity:734817,
activity:734818,
activity:734819,
activity:734820,
activity:734821,
activity:1832193,
activity:1832220,
activity:1836460,
activity:1836461,
activity:1836462,
activity:1836463,
activity:1836464,
activity:2573368,
activity:2573369,
activity:3472929,
activity:3490174,
activity:3666642,
activity:3671957,
activity:3764567,
activity:3804922,
activity:3887841,
activity:3897361,
activity:3919365,
activity:3941393,
activity:3974189,
activity:4017315,
activity:4039796,
activity:4063672,
activity:4069656,
activity:4132804,
activity:4165312,
activity:4189369,
activity:4227013,
activity:4298784,
activity:4358835,
activity:4373389,
activity:4393063,
activity:4403391,
activity:4468563,
activity:4506786,
activity:4517256,
activity:4519573,
activity:4522130,
activity:4536253,
activity:4582837,
activity:4585239,
activity:4753884,
activity:4783759,
activity:4809405,
activity:4821363,
activity:4830836,
activity:4870136,
activity:4917393,
activity:4945746,
activity:4982166,
activity:5027836,
activity:5065165,
activity:5070416,
activity:5073401,
activity:5357302,
activity:5512962,
activity:5535914,
activity:5572026,
activity:5572947,
activity:5704648,
activity:5707839
|
