|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
|
|
chemicalCompound:standardIn... |
BLFLLBZGZJTVJG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)c1ccc(N)cc1
|
|
chemicalCompound:molecularF... |
C9H11NO2
|
|
chemicalCompound:moleculeId |
16735
|
|
chemicalCompound:mwFreebase |
165.189
|
|
chemicalCompound:alogp |
1.287
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
52.32
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.835
|
|
chemicalCompound:acdLogD |
1.835
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
165.189
|
|
chemicalCompound:acdMostBpk... |
2.512
|
|
chemicalCompound:chemblId |
CHEMBL278172
|
|
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 |
BENZOCAINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:276716,
activity:360888,
activity:360889,
activity:360890,
activity:886775,
activity:2211931,
activity:2211964,
activity:2385440,
activity:2606934,
activity:2607018,
activity:3068342,
activity:3068395,
activity:3068429,
activity:3468709,
activity:3623847,
activity:4789986,
activity:4981613,
activity:4985480,
activity:5050640,
activity:5050714,
activity:5677855,
activity:5902691,
activity:6002264,
activity:6009210,
activity:6040676,
activity:6047195,
activity:6067773,
activity:6546292,
activity:7546185,
activity:7608065,
activity:7608066,
activity:7608067,
activity:7608068,
activity:7608069,
activity:7608070,
activity:7608071,
activity:7608072,
activity:7608073,
activity:7608074,
activity:7608075,
activity:7608076,
activity:7608077,
activity:7608078,
activity:7608079,
activity:7608080,
activity:7608081,
activity:7608082,
activity:7608083,
activity:7608084,
activity:7608085,
activity:7608086,
activity:7608087,
activity:7608088,
activity:7608089,
activity:7608090,
activity:7608091,
activity:7608092,
activity:7608093,
activity:7608094,
activity:7608095
|
