|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
|
|
chemicalCompound:standardIn... |
YCSBALJAGZKWFF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc2cc3ccccc3cc2c1
|
|
chemicalCompound:molecularF... |
C14H11N
|
|
chemicalCompound:moleculeId |
134383
|
|
chemicalCompound:mwFreebase |
193.244
|
|
chemicalCompound:alogp |
2.9
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.504
|
|
chemicalCompound:acdLogD |
3.504
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
193.244
|
|
chemicalCompound:acdMostBpk... |
4.32
|
|
chemicalCompound:chemblId |
CHEMBL83154
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:223759,
activity:223760,
activity:223761,
activity:223762,
activity:223763,
activity:2030905,
activity:2030927,
activity:2156745,
activity:2156749,
activity:2156755,
activity:2156759,
activity:3068320,
activity:3068321,
activity:3540411,
activity:3540412,
activity:3685658,
activity:3769447,
activity:3774408,
activity:3777871,
activity:3800125,
activity:3937740,
activity:3983439,
activity:4119872,
activity:4445499,
activity:4648097,
activity:4859730,
activity:4877140,
activity:4981526,
activity:5050553,
activity:5371961,
activity:5472019,
activity:5858024,
activity:5962777,
activity:6446991,
activity:6453897,
activity:6469835,
activity:6735674,
activity:6736263,
activity:6750451,
activity:6873023,
activity:6892519,
activity:6908174,
activity:6958566,
activity:6969888,
activity:7005123,
activity:7011304,
activity:7022436,
activity:7046999,
activity:7048561,
activity:7059180,
activity:7224224,
activity:7226395,
activity:7403130,
activity:7442734,
activity:7457890,
activity:7460789,
activity:7550050,
activity:10638032
|
