rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
|
chemicalCompound:standardIn... |
COLNVLDHVKWLRT-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
NC(Cc1ccccc1)C(=O)O
|
chemicalCompound:molecularF... |
C9 H11 N O2
|
chemicalCompound:moleculeId |
32990
|
chemicalCompound:mwFreebase |
165.189
|
chemicalCompound:alogp |
-1.605
|
chemicalCompound:hba |
3
|
chemicalCompound:hbd |
2
|
chemicalCompound:psa |
63.32
|
chemicalCompound:rtb |
3
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdMostApk... |
2.21
|
chemicalCompound:acdLogP |
0.235
|
chemicalCompound:acdLogD |
-2.271
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
165.189
|
chemicalCompound:acdMostBpk... |
9.2
|
chemicalCompound:chemblId |
CHEMBL25080
|
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 |
PHENYLALANINE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
activity:48840,
activity:48841,
activity:48842,
activity:48843,
activity:48844,
activity:48845,
activity:209435,
activity:255508,
activity:255509,
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activity:255511,
activity:255512,
activity:255513,
activity:255514,
activity:509671,
activity:509672,
activity:509673,
activity:509674,
activity:523916,
activity:523917,
activity:1157260,
activity:1157261,
activity:1157262,
activity:1157263,
activity:8291590,
activity:8293362,
activity:8334485,
activity:8371334,
activity:8408462,
activity:8466056,
activity:8503953,
activity:8521755,
activity:8555242,
activity:8595967,
activity:8598416,
activity:8694750,
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activity:8789862,
activity:8813359,
activity:8815744,
activity:8934228,
activity:8936750,
activity:8979593,
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activity:9024346,
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activity:9196731,
activity:9221804,
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activity:9318722,
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activity:9372698,
activity:9383649,
activity:9463041,
activity:9529649,
activity:9564539,
activity:9697776,
activity:9758079,
activity:9802323,
activity:9829151,
activity:9900142,
activity:9933991,
activity:9967490,
activity:9984764,
activity:9995891,
activity:10108587,
activity:10140909,
activity:10174589,
activity:10192137,
activity:10216849,
activity:10286735,
activity:10302049,
activity:10335616,
activity:10376548,
activity:10458986,
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activity:10550547,
activity:10603275,
activity:10614972,
activity:10717224,
activity:10737481,
activity:10751572,
activity:10792465
|