Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:standardIn...
InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
chemicalCompound:standardIn...
ZOTNSCLLJKXGSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2C(F)(F)F
chemicalCompound:molecularF...
C22H21F3N8
chemicalCompound:moleculeId
495238
chemicalCompound:mwFreebase
454.451
chemicalCompound:alogp
3.891
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
74.48
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.622
chemicalCompound:acdLogD
2.312
chemicalCompound:molecularS...
chemicalCompound:fullMwt
454.451
chemicalCompound:acdMostBpk...
7.601
chemicalCompound:chemblId
CHEMBL468963
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:2254006, activity:2254042, activity:2254060, activity:2822403, activity:2848034, activity:2851770, activity:2865339, activity:2876199, activity:2881982, activity:7320310, activity:8069437, activity:8069438, activity:8069439, activity:8069440, activity:8069441, activity:8069442, activity:8069443, activity:8069444, activity:8069445, activity:8069446, activity:8069447, activity:8069448, activity:8069449, activity:8069450, activity:8069451, activity:8069452, activity:8069453, activity:8069454, activity:8069455, activity:8069456, activity:8069457, activity:8069458, activity:8069459, activity:8069460, activity:8069461, activity:8069462, activity:8069463, activity:8069464, activity:8069465, activity:8069466, activity:8069467, activity:8069468, activity:8069469, activity:8069470, activity:8069471, activity:8069472, activity:8069473, activity:8069474, activity:8069475, activity:8069476, activity:8069477, activity:8069478, activity:8069479, activity:8069480, activity:8069481, activity:8069482, activity:8069483, activity:8069484, activity:8069485, activity:8069486, activity:8069487, activity:8069488, activity:8069489, activity:8069490, activity:8069491, activity:8069492, activity:8069493
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