|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
|
|
chemicalCompound:standardIn... |
KGFYHTZWPPHNLQ-AWEZNQCLSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(s1)C(=O)NC[C@H]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O
|
|
chemicalCompound:molecularF... |
C19H18ClN3O5S
|
|
chemicalCompound:moleculeId |
328601
|
|
chemicalCompound:mwFreebase |
435.881
|
|
chemicalCompound:alogp |
1.797
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
116.41
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.355
|
|
chemicalCompound:acdLogP |
1.709
|
|
chemicalCompound:acdLogD |
1.709
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
435.881
|
|
chemicalCompound:acdMostBpk... |
1.006
|
|
chemicalCompound:chemblId |
CHEMBL198362
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
RIVAROXABAN
|
|
chemicalCompound:firstAppro... |
2011
|
|
chemicalCompound:activity |
activity:1607460,
activity:1607461,
activity:1607462,
activity:1607463,
activity:1607464,
activity:1607465,
activity:1607466,
activity:1607467,
activity:1607468,
activity:1607469,
activity:1607470,
activity:1607471,
activity:1607472,
activity:1607473,
activity:1607474,
activity:2517460,
activity:2517461,
activity:3515012,
activity:3515013,
activity:3515014,
activity:3515015,
activity:3515016,
activity:3515017,
activity:3515018,
activity:3515019,
activity:3515020,
activity:3515177,
activity:3515228,
activity:3515229,
activity:3515230,
activity:3515231,
activity:3515232,
activity:3515233,
activity:3515234,
activity:3515235,
activity:3515236,
activity:3515237
|
