|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
|
|
chemicalCompound:standardIn... |
BGMZUEKZENQUJY-SSDOTTSWSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(C[C@@H](C)N)c(OC)cc1I
|
|
chemicalCompound:molecularF... |
C11 H16 I N O2
|
|
chemicalCompound:moleculeId |
221517
|
|
chemicalCompound:mwFreebase |
321.155
|
|
chemicalCompound:alogp |
2.179
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
44.48
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.191
|
|
chemicalCompound:acdLogD |
1.161
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
321.155
|
|
chemicalCompound:acdMostBpk... |
9.464
|
|
chemicalCompound:chemblId |
CHEMBL134519
|
|
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:243499,
activity:243500,
activity:709893,
activity:709894,
activity:709895,
activity:709896,
activity:709897,
activity:709898,
activity:709899,
activity:709900,
activity:709901,
activity:709902,
activity:709903,
activity:709904,
activity:709905,
activity:709906,
activity:818279,
activity:818280,
activity:1486165,
activity:1486166,
activity:1486167,
activity:1669163,
activity:1669164,
activity:1669167,
activity:1669168,
activity:1669170,
activity:1669171,
activity:1669172,
activity:1669173,
activity:1669174,
activity:1669175,
activity:1669176,
activity:1669177,
activity:1669178,
activity:1669179,
activity:1669180,
activity:1669181,
activity:1669182,
activity:1669183,
activity:1669279,
activity:1669463,
activity:1963316,
activity:1963317,
activity:1963318,
activity:1963368,
activity:1963369,
activity:1963370,
activity:1963372,
activity:1963376,
activity:1963731,
activity:1963732,
activity:7512862
|
