|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
|
|
chemicalCompound:standardIn... |
STJMRWALKKWQGH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C12H18Cl2N2O
|
|
chemicalCompound:moleculeId |
74690
|
|
chemicalCompound:mwFreebase |
277.19
|
|
chemicalCompound:alogp |
2.37
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
58.28
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.289
|
|
chemicalCompound:acdLogP |
2.634
|
|
chemicalCompound:acdLogD |
0.582
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
277.19
|
|
chemicalCompound:acdMostBpk... |
9.515
|
|
chemicalCompound:chemblId |
CHEMBL49080
|
|
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 |
CLENBUTEROL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:323317,
activity:323318,
activity:323319,
activity:323320,
activity:492959,
activity:492960,
activity:719905,
activity:719906,
activity:735494,
activity:735495,
activity:735496,
activity:875191,
activity:875192,
activity:875193,
activity:875194,
activity:875195,
activity:875196,
activity:2589947,
activity:2589966,
activity:2612942,
activity:2612948,
activity:2612961,
activity:2612967,
activity:3389842,
activity:3393044,
activity:3393045,
activity:3393046,
activity:3393047,
activity:3393048,
activity:3393049,
activity:3393050,
activity:3393051,
activity:3393052,
activity:3393053,
activity:3393054,
activity:3393055,
activity:3393056,
activity:3393057,
activity:3393058,
activity:3393059,
activity:3418625,
activity:3418816,
activity:5520385,
activity:6579302,
activity:6843991,
activity:7048362,
activity:7185323,
activity:7682425,
activity:7682426,
activity:7682427,
activity:7682428,
activity:7682429,
activity:7682430,
activity:7682431,
activity:7682432,
activity:7682433,
activity:7682434,
activity:7682435,
activity:7682436,
activity:7682437
|
