220660

Source:http://linkedlifedata.com/resource/chembl/compound/220660

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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/C18H25FN4O4S/c1-13(28)21-20-11-15-12-23(18(24)27-15)14-2-3-17(16(19)10-14)26-9-6-22-4-7-25-8-5-22/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,21,28)/t15-/m0/s1
chemicalCompound:standardIn...	VNVQMDWAPBFGLK-HNNXBMFYSA-N
chemicalCompound:canonicalS...	C\C(=N\NC[C@H]1CN(C(=O)O1)c2ccc(OCCN3CCOCC3)c(F)c2)\S
chemicalCompound:molecularF...	C18 H25 F N4 O4 S
chemicalCompound:moleculeId	220660
chemicalCompound:mwFreebase	412.479
chemicalCompound:alogp	1.646
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	114.43
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.588
chemicalCompound:acdLogP	1.495
chemicalCompound:acdLogD	0.282
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	412.479
chemicalCompound:acdMostBpk...	8.615
chemicalCompound:chemblId	CHEMBL133977
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320660
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:762359, activity:762360, activity:762361, activity:762362, activity:762363, activity:762364