544296

Source:http://linkedlifedata.com/resource/chembl/compound/544296

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:668975
chemicalCompound:standardIn...	InChI=1S/C20H26N4O4S2.ClH/c1-11-16(27-2)8-15(26)12-9-30-10-13(19-23-20(21)24-28-19)22-17(29)7-5-3-4-6-14(25)18(11)12;/h8,13,26H,3-7,9-10H2,1-2H3,(H2,21,24)(H,22,29);1H/t13-;/m0./s1
chemicalCompound:standardIn...	GANPZMFAFINCJJ-ZOWNYOTGSA-N
chemicalCompound:canonicalS...	Cl.COc1cc(O)c2CSC[C@@H](\N=C(/S)\CCCCCC(=O)c2c1C)c3onc(N)n3
chemicalCompound:molecularF...	C20H27ClN4O4S2
chemicalCompound:moleculeId	544296
chemicalCompound:mwFreebase	450.575
chemicalCompound:alogp	3.698
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	187.92
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-2.286
chemicalCompound:acdLogP	3.965
chemicalCompound:acdLogD	1.479
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	487.036
chemicalCompound:acdMostBpk...	10.326
chemicalCompound:chemblId	CHEMBL553742
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644296
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:652707, activity:652708, activity:652709, activity:652710, activity:652711, activity:652712, activity:652713, activity:652714, activity:652715, activity:652716, activity:652717, activity:652718, activity:652719, activity:652720, activity:652721