790292

Source:http://linkedlifedata.com/resource/chembl/compound/790292

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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/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1
chemicalCompound:standardIn...	DGQLVPJVXFOQEV-NGOCYOHBSA-N
chemicalCompound:canonicalS...	Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12
chemicalCompound:molecularF...	C22H20O13
chemicalCompound:moleculeId	790292
chemicalCompound:mwFreebase	492.386
chemicalCompound:alogp	-0.436
chemicalCompound:hba	13
chemicalCompound:hbd	9
chemicalCompound:psa	242.5
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.617
chemicalCompound:acdLogP	1.532
chemicalCompound:acdLogD	-2.668
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	492.386
chemicalCompound:chemblId	CHEMBL1366408
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:890292
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:3607788, activity:3618987, activity:3658042, activity:3695383, activity:3697577, activity:3698447, activity:3709580, activity:3745209, activity:3773569, activity:3774804, activity:3799107, activity:3893163, activity:3894601, activity:3902857, activity:3919718, activity:3930957, activity:3931659, activity:3942352, activity:3951351, activity:3956700, activity:3960806, activity:4061283, activity:4066974, activity:4090846, activity:4106391, activity:4111953, activity:4114835, activity:4171350, activity:4171913, activity:4175694, activity:4291468, activity:4370564, activity:4376336, activity:4379300, activity:4408538, activity:4412461, activity:4544946, activity:4568363, activity:4568954, activity:4598082, activity:4598319, activity:4674454, activity:4717864, activity:4723504, activity:4749364, activity:4783666, activity:4793019, activity:4800921, activity:4816620, activity:4840788, activity:4848347, activity:4853672, activity:4868175, activity:4868329, activity:4872669, activity:4872885, activity:4896421, activity:4901611, activity:4902090, activity:4967388, activity:4976509, activity:4980666, activity:4981688, activity:4983470, activity:5019609, activity:5022723, activity:5037301