1285792

Source:http://linkedlifedata.com/resource/chembl/compound/1285792

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H16N8O2S/c1-9-6-16(2,3)23(22-9)15-20-13(19-14(18)21-15)11(7-17)4-10-5-12(24(25)26)27-8-10/h4-5,8H,6H2,1-3H3,(H2,18,19,20,21)/b11-4-
chemicalCompound:standardIn...	DRJKFXXKGQFBBV-WCIBSUBMSA-N
chemicalCompound:canonicalS...	CC1=NN(c2nc(N)nc(n2)\C(=C/c3csc(c3)[N+](=O)[O-])\C#N)C(C)(C)C1
chemicalCompound:molecularF...	C16H16N8O2S
chemicalCompound:moleculeId	1285792
chemicalCompound:mwFreebase	384.416
chemicalCompound:alogp	2.496
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	178.14
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.994
chemicalCompound:acdLogD	1.994
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.416
chemicalCompound:acdMostBpk...	3.539
chemicalCompound:chemblId	CHEMBL1964501
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1385792
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:8238815, activity:8316797, activity:8332099, activity:8375990, activity:8413193, activity:8442256, activity:8457498, activity:8522031, activity:8541978, activity:8612193, activity:8703663, activity:8788254, activity:8789956, activity:8816087, activity:8822486, activity:8870005, activity:8920994, activity:8988604, activity:9034388, activity:9114636, activity:9121283, activity:9169167, activity:9205908, activity:9234543, activity:9303144, activity:9310823, activity:9384033, activity:9456413, activity:9467630, activity:9640929, activity:9727411, activity:9838772, activity:9880182, activity:9910381, activity:9938749, activity:9989385, activity:10000650, activity:10097965, activity:10119200, activity:10187956, activity:10234580, activity:10269676, activity:10306805, activity:10385556, activity:10436271, activity:10455108, activity:10511224, activity:10539882, activity:10619458, activity:10638811, activity:10722012, activity:10742146