677904

Source:http://linkedlifedata.com/resource/chembl/compound/677904

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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:419528
chemicalCompound:standardIn...	InChI=1S/C23H20F7N5O.ClH/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25;/h1-4,9,11,15,19H,5-8,10,31H2;1H/t15-,19-;/m1./s1
chemicalCompound:standardIn...	AQVOYEKSNXXHIW-AEFICSSHSA-N
chemicalCompound:canonicalS...	Cl.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc3ccc(F)cc3)Cc4cc(F)c(F)cc4F
chemicalCompound:molecularF...	C23H21ClF7N5O
chemicalCompound:moleculeId	677904
chemicalCompound:mwFreebase	515.427
chemicalCompound:alogp	4.175
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.03
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.153
chemicalCompound:acdLogD	4.03
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	551.888
chemicalCompound:acdMostBpk...	7.203
chemicalCompound:chemblId	CHEMBL1203953
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:777904
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:2068795, activity:2068833, activity:2068858, activity:2068896, activity:2068926, activity:2068933, activity:2068943, activity:2068954, activity:2068963, activity:2068979, activity:2068980, activity:2068981, activity:2069000, activity:2069041, activity:2069086