|
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
|
|
chemicalCompound:standardIn... |
BGMZUEKZENQUJY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(CC(C)N)c(OC)cc1I
|
|
chemicalCompound:molecularF... |
C11H16INO2
|
|
chemicalCompound:moleculeId |
436
|
|
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 |
CHEMBL6616
|
|
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:91664,
activity:139012,
activity:196846,
activity:196847,
activity:196848,
activity:196849,
activity:196850,
activity:222581,
activity:222582,
activity:230132,
activity:230133,
activity:230134,
activity:230135,
activity:230136,
activity:230137,
activity:230138,
activity:230139,
activity:230140,
activity:230141,
activity:230142,
activity:231563,
activity:231564,
activity:231565,
activity:231566,
activity:231567,
activity:231568,
activity:231569,
activity:231570,
activity:231571,
activity:231572,
activity:234097,
activity:234098,
activity:234099,
activity:234100,
activity:234101,
activity:234102,
activity:234103,
activity:345519,
activity:345520,
activity:345521,
activity:345522,
activity:380444,
activity:380445,
activity:380446,
activity:380447,
activity:534032,
activity:536986,
activity:536987,
activity:536988,
activity:536989,
activity:536990,
activity:536991,
activity:536992,
activity:536993,
activity:536994,
activity:536995,
activity:536996,
activity:536997,
activity:536998,
activity:536999,
activity:537000,
activity:537001,
activity:537002,
activity:537003,
activity:537004,
activity:537005,
activity:537006
|
