210629

Source:http://linkedlifedata.com/resource/chembl/compound/210629

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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/C22H19F5N4O2/c1-14-21(11-30-13-28-12-29-30,18-7-6-17(23)10-19(18)24)33-9-8-31(14)20(32)15-2-4-16(5-3-15)22(25,26)27/h2-7,10,12-14H,8-9,11H2,1H3/t14-,21-/m1/s1
chemicalCompound:standardIn...	QSVFWYIWGYYGQN-SPLOXXLWSA-N
chemicalCompound:canonicalS...	C[C@H]1N(CCO[C@@]1(Cn2cncn2)c3ccc(F)cc3F)C(=O)c4ccc(cc4)C(F)(F)F
chemicalCompound:molecularF...	C22 H19 F5 N4 O2
chemicalCompound:moleculeId	210629
chemicalCompound:mwFreebase	466.404
chemicalCompound:alogp	3.745
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	60.25
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.507
chemicalCompound:acdLogD	5.507
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	466.404
chemicalCompound:acdMostBpk...	2.724
chemicalCompound:chemblId	CHEMBL126543
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:310629
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:249437, activity:249438, activity:249439, activity:249440, activity:249441, activity:249442, activity:249443, activity:249444, activity:249445, activity:249446, activity:249447, activity:249448, activity:249449, activity:249450, activity:249451, activity:249452, activity:249453, activity:249454, activity:249455, activity:249456, activity:249457, activity:249458, activity:249459, activity:249460, activity:249461, activity:249462, activity:249463, activity:249464, activity:249465, activity:252170, activity:252171, activity:252172, activity:252173, activity:252174, activity:252175, activity:252176, activity:252177, activity:252178, activity:252179, activity:252180, activity:252181, activity:252182, activity:252183, activity:252184, activity:252185, activity:252186, activity:252187, activity:252188, activity:252189, activity:252190, activity:252191, activity:252192, activity:252193, activity:252194, activity:252195, activity:252196, activity:252197, activity:252198, activity:252199, activity:252200, activity:252201, activity:252202, activity:252203, activity:252204, activity:252205, activity:252206, activity:252207