|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H14N2O2/c1-2-4-16-14(3-1)15-9-10-21-17(20(15)22-16)7-5-13-6-8-18-19(11-13)24-12-23-18/h1-11,21H,12H2/b7-5-
|
|
chemicalCompound:standardIn... |
BYBZVBAVDNNAQO-ALCCZGGFSA-N
|
|
chemicalCompound:canonicalS... |
C1Oc2ccc(\C=C/c3[nH]ccc4c5ccccc5nc34)cc2O1
|
|
chemicalCompound:molecularF... |
C20H14N2O2
|
|
chemicalCompound:moleculeId |
863552
|
|
chemicalCompound:mwFreebase |
314.337
|
|
chemicalCompound:alogp |
4.492
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
47.14
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.486
|
|
chemicalCompound:acdLogD |
2.489
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
314.337
|
|
chemicalCompound:acdMostBpk... |
11.586
|
|
chemicalCompound:chemblId |
CHEMBL1439668
|
|
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:3620271,
activity:3675960,
activity:3704052,
activity:3794754,
activity:3946534,
activity:4022102,
activity:4143447,
activity:4203926,
activity:4421349,
activity:4432647,
activity:4461208,
activity:4535482,
activity:4558266,
activity:4594945,
activity:4720289,
activity:4778120,
activity:4779664,
activity:4820873,
activity:4934541,
activity:4976880,
activity:5025774,
activity:5626767,
activity:5677342,
activity:5749639,
activity:5930358,
activity:5964588,
activity:5985848,
activity:6476698,
activity:6620822,
activity:6721324,
activity:6842354,
activity:6865611,
activity:6952848,
activity:7053753,
activity:7175680,
activity:7200991,
activity:7255490,
activity:7393175,
activity:7535394,
activity:7560994,
activity:9825242,
activity:10598877
|
