435626

Source:http://linkedlifedata.com/resource/chembl/compound/435626

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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/C20H22FN3O6/c1-10-9-28-18-15-12(17(25)11(19(26)27)8-24(10)15)14(22)13(21)16(18)23-4-2-20(3-5-23)29-6-7-30-20/h8,10H,2-7,9,22H2,1H3,(H,26,27)
chemicalCompound:standardIn...	FPCRCRZYSDOSQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1COc2c(N3CCC4(CC3)OCCO4)c(F)c(N)c5C(=O)C(=CN1c25)C(=O)O
chemicalCompound:molecularF...	C20 H22 F N3 O6
chemicalCompound:moleculeId	435626
chemicalCompound:mwFreebase	419.404
chemicalCompound:alogp	1.022
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	114.55
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.041
chemicalCompound:acdLogP	2.094
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	419.404
chemicalCompound:acdMostBpk...	1.819
chemicalCompound:chemblId	CHEMBL273164
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:535626
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:2094415, activity:2094454, activity:2094490, activity:2094510