220636

Source:http://linkedlifedata.com/resource/chembl/compound/220636

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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/C18H25FN4O4S2/c1-25-17(28)21-20-11-14-12-23(18(24)27-14)13-2-3-16(15(19)10-13)26-7-4-22-5-8-29-9-6-22/h2-3,10,14,20H,4-9,11-12H2,1H3,(H,21,28)/t14-/m0/s1
chemicalCompound:standardIn...	ZICWZRRVABTMCM-AWEZNQCLSA-N
chemicalCompound:canonicalS...	CO\C(=N\NC[C@H]1CN(C(=O)O1)c2ccc(OCCN3CCSCC3)c(F)c2)\S
chemicalCompound:molecularF...	C18 H25 F N4 O4 S2
chemicalCompound:moleculeId	220636
chemicalCompound:mwFreebase	444.544
chemicalCompound:alogp	3.034
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	139.72
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-4.343
chemicalCompound:acdLogP	2.637
chemicalCompound:acdLogD	2.493
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	444.544
chemicalCompound:acdMostBpk...	6.649
chemicalCompound:chemblId	CHEMBL132027
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320636
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:773578, activity:773579, activity:773580, activity:773581, activity:773582, activity:773583