675209

Source:http://linkedlifedata.com/resource/chembl/compound/675209

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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/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1
chemicalCompound:standardIn...	WBXPDJSOTKVWSJ-CYBMUJFWSA-N
chemicalCompound:canonicalS...	NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O)c2C(=O)N1
chemicalCompound:molecularF...	C20H21N5O6
chemicalCompound:moleculeId	675209
chemicalCompound:mwFreebase	427.411
chemicalCompound:alogp	1.144
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	186.97
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.584
chemicalCompound:acdLogP	0.36
chemicalCompound:acdLogD	-4.322
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	427.411
chemicalCompound:acdMostBpk...	5.268
chemicalCompound:chemblId	CHEMBL1201258
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775209
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:6520493, activity:7107364, activity:7549743, activity:9000156