|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
|
|
chemicalCompound:standardIn... |
UFULAYFCSOUIOV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCS
|
|
chemicalCompound:molecularF... |
C2H7NS
|
|
chemicalCompound:moleculeId |
21036
|
|
chemicalCompound:mwFreebase |
77.1487
|
|
chemicalCompound:alogp |
-0.216
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
64.81
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
8.32
|
|
chemicalCompound:acdLogP |
0.22
|
|
chemicalCompound:acdLogD |
-1.3
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
77.1487
|
|
chemicalCompound:acdMostBpk... |
10.343
|
|
chemicalCompound:chemblId |
CHEMBL602
|
|
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 |
CYSTEAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1994
|
|
chemicalCompound:activity |
activity:141687,
activity:159183,
activity:159184,
activity:159185,
activity:159186,
activity:159187,
activity:159188,
activity:159189,
activity:159190,
activity:1080566,
activity:1110016,
activity:1110017,
activity:1110018,
activity:1110019,
activity:1110020,
activity:1110021,
activity:1110022,
activity:1434977,
activity:1434978,
activity:1682221,
activity:1855012,
activity:1855013,
activity:1855014,
activity:2107016,
activity:2364234,
activity:3806793,
activity:3912499,
activity:4949423,
activity:5018302,
activity:5129744,
activity:5129748,
activity:5328846,
activity:5572997,
activity:5724840,
activity:5779068,
activity:5802504,
activity:5998885,
activity:6050700,
activity:6062364,
activity:6065503,
activity:6068921,
activity:6150753,
activity:6313938,
activity:6313943,
activity:6432849,
activity:6832166,
activity:7020332,
activity:7548039,
activity:7836479,
activity:7837040,
activity:7837041,
activity:7837042,
activity:7837043,
activity:7837044,
activity:7837045,
activity:7837046
|
