|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2
|
|
chemicalCompound:standardIn... |
ANWALZPQHPAZFO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)c2ncn(CCCN3CCOCC3)c2c4ccncc4
|
|
chemicalCompound:molecularF... |
C21H23FN4O
|
|
chemicalCompound:moleculeId |
13554
|
|
chemicalCompound:mwFreebase |
366.432
|
|
chemicalCompound:alogp |
2.623
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.18
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.911
|
|
chemicalCompound:acdLogD |
1.637
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
366.432
|
|
chemicalCompound:acdMostBpk... |
7.287
|
|
chemicalCompound:chemblId |
CHEMBL14112
|
|
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 |
SB-210313
|
|
chemicalCompound:activity |
activity:929640,
activity:929641,
activity:929642,
activity:929643,
activity:1152316,
activity:1162992,
activity:1162993,
activity:1162994,
activity:7354364,
activity:8075281,
activity:8075282,
activity:8075283,
activity:8075284,
activity:8075285,
activity:8075286,
activity:8075287,
activity:8075288,
activity:8075289,
activity:8075290,
activity:8075291,
activity:8075292,
activity:8075293,
activity:8075294,
activity:8075295,
activity:8075296,
activity:8075297,
activity:8075298,
activity:8075299,
activity:8075300,
activity:8075301,
activity:8075302,
activity:8075303,
activity:8075304,
activity:8075305,
activity:8075306,
activity:8075307,
activity:8075308,
activity:8075309,
activity:8075310,
activity:8075311,
activity:8075312,
activity:8075313,
activity:8075314,
activity:8075315,
activity:8075316,
activity:8075317,
activity:8075318,
activity:8075319,
activity:8075320,
activity:8075321,
activity:8075322,
activity:8075323,
activity:8075324,
activity:8075325,
activity:8075326,
activity:8075327,
activity:8075328,
activity:8075329,
activity:8075330,
activity:8075331,
activity:8075332,
activity:8075333,
activity:8075334,
activity:8075335,
activity:8075336
|
