|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H
|
|
chemicalCompound:standardIn... |
ANUSOIHIIPAHJV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O
|
|
chemicalCompound:molecularF... |
C12H8Cl2O2S
|
|
chemicalCompound:moleculeId |
456580
|
|
chemicalCompound:mwFreebase |
287.162
|
|
chemicalCompound:alogp |
4.793
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
65.76
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
7.908
|
|
chemicalCompound:acdLogP |
3.645
|
|
chemicalCompound:acdLogD |
3.522
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
287.162
|
|
chemicalCompound:chemblId |
CHEMBL473535
|
|
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 |
FENTICLOR
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2389236,
activity:2389983,
activity:2390027,
activity:3607778,
activity:3658023,
activity:3689870,
activity:3698434,
activity:3761508,
activity:3769492,
activity:3773553,
activity:3774786,
activity:3777467,
activity:3777904,
activity:3778897,
activity:3894587,
activity:3902836,
activity:3903997,
activity:3919700,
activity:3942336,
activity:3951334,
activity:4014169,
activity:4057207,
activity:4090963,
activity:4106373,
activity:4177517,
activity:4291452,
activity:4451839,
activity:4462652,
activity:4580567,
activity:4586728,
activity:4667193,
activity:4674433,
activity:4717846,
activity:4723484,
activity:4749352,
activity:4759131,
activity:4783650,
activity:4784676,
activity:4804794,
activity:4841585,
activity:4849450,
activity:4865097,
activity:4868901,
activity:4872867,
activity:4896407,
activity:4901595,
activity:4902073,
activity:4969780,
activity:4969953,
activity:4976490,
activity:4980647,
activity:5019592,
activity:5022714,
activity:5038833,
activity:5065282,
activity:5068997,
activity:5078250,
activity:5365078,
activity:5855126,
activity:5973635,
activity:6188311,
activity:6188339,
activity:6188367,
activity:6445179,
activity:6468109
|
