|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
|
|
chemicalCompound:standardIn... |
UWYZHKAOTLEWKK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C1Cc2ccccc2CN1
|
|
chemicalCompound:molecularF... |
C9 H11 N
|
|
chemicalCompound:moleculeId |
14116
|
|
chemicalCompound:mwFreebase |
133.19
|
|
chemicalCompound:alogp |
1.442
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.661
|
|
chemicalCompound:acdLogD |
-0.545
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
133.19
|
|
chemicalCompound:acdMostBpk... |
9.664
|
|
chemicalCompound:chemblId |
CHEMBL14346
|
|
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 |
1,2,3,4-TETRAHYDROISOQUINOLINE
|
|
chemicalCompound:activity |
activity:111420,
activity:237884,
activity:237885,
activity:300943,
activity:482383,
activity:482384,
activity:584226,
activity:584227,
activity:622156,
activity:622157,
activity:652545,
activity:652546,
activity:652547,
activity:705377,
activity:705378,
activity:705379,
activity:902604,
activity:908784,
activity:908785,
activity:908786,
activity:989659,
activity:1011430,
activity:1011431,
activity:1011432,
activity:1120993,
activity:1155339,
activity:1155340,
activity:1155341,
activity:1228954,
activity:1228955,
activity:1228956,
activity:1760461,
activity:1760481,
activity:1760508,
activity:1935343,
activity:1935366,
activity:1935392,
activity:2072595,
activity:2072609,
activity:2072610,
activity:7052387
|
