630975

Source:http://linkedlifedata.com/resource/chembl/compound/630975

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:630975_PF-562271_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
chemicalCompound:standardIn...	MZDKLVOWGIOKTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C
chemicalCompound:molecularF...	C21H20F3N7O3S
chemicalCompound:moleculeId	630975
chemicalCompound:mwFreebase	507.489
chemicalCompound:alogp	1.381
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	137.59
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.662
chemicalCompound:acdLogP	-0.752
chemicalCompound:acdLogD	-0.752
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	507.489
chemicalCompound:acdMostBpk...	3.589
chemicalCompound:chemblId	CHEMBL1084546
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:730975
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:3302304, activity:3302305, activity:9506895, activity:9508349, activity:9511197, activity:9511241, activity:9511280, activity:9511780, activity:9512021, activity:9512227, activity:9512528, activity:9515104, activity:9515555, activity:9516698, activity:9519758, activity:9523670, activity:9524273, activity:9524464, activity:9524703, activity:9525004, activity:9527630, activity:9531937, activity:9532189, activity:9536431, activity:9537133, activity:9540159, activity:9540384, activity:9540714, activity:9541015, activity:9544538, activity:9548254, activity:9549150, activity:9549575, activity:9552659, activity:9553019, activity:9553435, activity:9556637, activity:9560415, activity:9561443, activity:9562018, activity:9565819, activity:9569154, activity:9569218, activity:9569631, activity:9570210, activity:9571588, activity:9572055, activity:9572514, activity:9573263, activity:9574253, activity:9575443, activity:9575580, activity:9576447, activity:9576843, activity:9577337, activity:9578726, activity:9579060, activity:9579634, activity:9580003, activity:9582337, activity:9584174, activity:9584763, activity:9585105, activity:9585555, activity:9585720