566976

Source:http://linkedlifedata.com/resource/chembl/compound/566976

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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/C14H19ClN6O5S/c15-14-19-10(17)7-11(20-14)21(4-18-7)12-9(23)8(22)6(26-12)3-27-2-1-5(16)13(24)25/h4-6,8-9,12,22-23H,1-3,16H2,(H,24,25)(H2,17,19,20)/t5?,6-,8-,9-,12-/m1/s1
chemicalCompound:standardIn...	HGUVDAILKKOLIO-NRJACJQQSA-N
chemicalCompound:canonicalS...	NC(CCSC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3c(N)nc(Cl)nc23)C(=O)O
chemicalCompound:molecularF...	C14H19ClN6O5S
chemicalCompound:moleculeId	566976
chemicalCompound:mwFreebase	418.856
chemicalCompound:alogp	-3.501
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	207.92
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.223
chemicalCompound:acdLogP	-0.682
chemicalCompound:acdLogD	-3.184
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	418.856
chemicalCompound:acdMostBpk...	9.474
chemicalCompound:chemblId	CHEMBL564768
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:666976
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:2676544, activity:2676565, activity:2676579