|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
|
|
chemicalCompound:standardIn... |
KWGRBVOPPLSCSI-WCBMZHEXSA-N
|
|
chemicalCompound:canonicalS... |
CN[C@@H](C)[C@@H](O)c1ccccc1
|
|
chemicalCompound:molecularF... |
C10H15NO
|
|
chemicalCompound:moleculeId |
454076
|
|
chemicalCompound:mwFreebase |
165.232
|
|
chemicalCompound:alogp |
1.234
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
32.26
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.96
|
|
chemicalCompound:acdLogP |
1.079
|
|
chemicalCompound:acdLogD |
-0.933
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
165.232
|
|
chemicalCompound:acdMostBpk... |
9.378
|
|
chemicalCompound:chemblId |
CHEMBL1590
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PSEUDOEPHEDRINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2511094,
activity:2511142,
activity:2511181,
activity:2511220,
activity:2589774,
activity:3216108,
activity:3216199,
activity:3217426,
activity:3390996,
activity:3390997,
activity:3390998,
activity:3390999,
activity:3391000,
activity:3391001,
activity:3391002,
activity:3391003,
activity:3391004,
activity:3391005,
activity:3391006,
activity:3391007,
activity:3391008,
activity:3391009,
activity:3391010,
activity:3391011,
activity:3468733,
activity:3675746,
activity:3685662,
activity:3692440,
activity:3701068,
activity:3872944,
activity:3919000,
activity:3954871,
activity:4021208,
activity:4306213,
activity:4388171,
activity:4445500,
activity:4532912,
activity:4583834,
activity:4588928,
activity:4648101,
activity:4805451,
activity:4805541,
activity:4837145,
activity:4965723,
activity:4981528,
activity:5050555,
activity:5057539,
activity:5070292,
activity:5329111,
activity:5858034
|
