|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
|
|
chemicalCompound:standardIn... |
QZAYGJVTTNCVMB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCc1c[nH]c2ccc(O)cc12
|
|
chemicalCompound:molecularF... |
C10H12N2O
|
|
chemicalCompound:moleculeId |
2214
|
|
chemicalCompound:mwFreebase |
176.215
|
|
chemicalCompound:alogp |
1.308
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
62.03
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.093
|
|
chemicalCompound:acdLogP |
0.545
|
|
chemicalCompound:acdLogD |
-1.735
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
176.215
|
|
chemicalCompound:acdMostBpk... |
9.519
|
|
chemicalCompound:chemblId |
CHEMBL39
|
|
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 |
SEROTONIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:79198,
activity:79199,
activity:79200,
activity:79201,
activity:79202,
activity:79203,
activity:79273,
activity:79274,
activity:79275,
activity:79276,
activity:79277,
activity:79278,
activity:79279,
activity:91069,
activity:91070,
activity:91071,
activity:91072,
activity:97562,
activity:97563,
activity:97564,
activity:105477,
activity:108321,
activity:108322,
activity:146292,
activity:146293,
activity:190225,
activity:221738,
activity:221739,
activity:239363,
activity:239364,
activity:239365,
activity:239366,
activity:239367,
activity:239368,
activity:239369,
activity:241836,
activity:241837,
activity:241838,
activity:241839,
activity:241840,
activity:241841,
activity:241842,
activity:241843,
activity:241844,
activity:278324,
activity:278325,
activity:278326,
activity:278327,
activity:278328,
activity:278329,
activity:278330,
activity:278331,
activity:278332,
activity:282733,
activity:282734,
activity:282735,
activity:282736,
activity:282737,
activity:282738,
activity:282739,
activity:282740,
activity:289333,
activity:289334
|
