211637

Source:http://linkedlifedata.com/resource/chembl/compound/211637

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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:6008
chemicalCompound:standardIn...	InChI=1S/C10H13FN2.C2H2O4/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;3-1(4)2(5)6/h1-3,8,12H,4-7H2;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	YYFBVFDMHRZSJF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)O.Fc1cccc(c1)N2CCNCC2
chemicalCompound:molecularF...	C10 H13 F N2 . C2 H2 O4
chemicalCompound:moleculeId	211637
chemicalCompound:mwFreebase	180.222
chemicalCompound:alogp	1.619
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	15.27
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.192
chemicalCompound:acdLogD	0.012
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	270.257
chemicalCompound:acdMostBpk...	8.852
chemicalCompound:chemblId	CHEMBL127014
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:311637
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:404742