6602

Source:http://linkedlifedata.com/resource/chembl/compound/6602

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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/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)
chemicalCompound:standardIn...	UWJVCMUANRKMFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(CC1=Nc2c(N)nc(N)nc2NC1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
chemicalCompound:molecularF...	C22 H27 N7 O5
chemicalCompound:moleculeId	6602
chemicalCompound:mwFreebase	469.494
chemicalCompound:alogp	0.821
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	205.91
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.562
chemicalCompound:acdLogP	-0.004
chemicalCompound:acdLogD	-3.495
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	469.494
chemicalCompound:acdMostBpk...	9.862
chemicalCompound:chemblId	CHEMBL9824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106602
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:632833, activity:632834, activity:632835, activity:632836, activity:655633, activity:655634, activity:655635, activity:655636, activity:662982, activity:662983, activity:662984, activity:662985