|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
|
|
chemicalCompound:standardIn... |
OPACMJHTQWVSKW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N#CC(=C(c1ccccc1)c2ccccc2)c3ccccc3
|
|
chemicalCompound:molecularF... |
C21 H15 N
|
|
chemicalCompound:moleculeId |
103148
|
|
chemicalCompound:mwFreebase |
281.35
|
|
chemicalCompound:alogp |
5.133
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
23.79
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.186
|
|
chemicalCompound:acdLogD |
4.186
|
|
chemicalCompound:fullMwt |
281.35
|
|
chemicalCompound:chemblId |
CHEMBL305168
|
|
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:activity |
activity:594638,
activity:594639,
activity:594640,
activity:594641,
activity:594642,
activity:594643,
activity:594644,
activity:594645,
activity:594646,
activity:594647,
activity:892240,
activity:892241,
activity:892242,
activity:892243,
activity:892244,
activity:892245,
activity:6791725,
activity:6966981
|
