606480

Source:http://linkedlifedata.com/resource/chembl/compound/606480

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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/C18H21N7O4S/c26-13-11(7-30-18-19-3-1-4-20-18)29-17(14(13)27)25-9-23-12-15(21-8-22-16(12)25)24-10-2-5-28-6-10/h1,3-4,8-11,13-14,17,26-27H,2,5-7H2,(H,21,22,24)/t10?,11-,13-,14-,17?/m1/s1
chemicalCompound:standardIn...	NFGONGUAEYZABN-MQWPZHSDSA-N
chemicalCompound:canonicalS...	O[C@@H]1[C@@H](CSc2ncccn2)OC([C@@H]1O)n3cnc4c(NC5CCOC5)ncnc34
chemicalCompound:molecularF...	C18H21N7O4S
chemicalCompound:moleculeId	606480
chemicalCompound:mwFreebase	431.469
chemicalCompound:alogp	-0.075
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	165.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.039
chemicalCompound:acdLogP	0.01
chemicalCompound:acdLogD	0.01
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.469
chemicalCompound:acdMostBpk...	3.061
chemicalCompound:chemblId	CHEMBL608018
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706480
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:31897, activity:31898