211133

Source:http://linkedlifedata.com/resource/chembl/compound/211133

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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/C22H17F5N4O4/c1-13-21(10-30-12-28-11-29-30,17-7-4-15(23)8-18(17)24)35-19(32)9-31(13)20(33)14-2-5-16(6-3-14)34-22(25,26)27/h2-8,11-13H,9-10H2,1H3/t13-,21-/m1/s1
chemicalCompound:standardIn...	UTADZSXWEHTAEH-LRTDBIEQSA-N
chemicalCompound:canonicalS...	C[C@H]1N(CC(=O)O[C@@]1(Cn2cncn2)c3ccc(F)cc3F)C(=O)c4ccc(OC(F)(F)F)cc4
chemicalCompound:molecularF...	C22 H17 F5 N4 O4
chemicalCompound:moleculeId	211133
chemicalCompound:mwFreebase	496.387
chemicalCompound:alogp	4.76
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	86.55
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.028
chemicalCompound:acdLogD	4.028
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	496.387
chemicalCompound:acdMostBpk...	2.626
chemicalCompound:chemblId	CHEMBL341022
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:311133
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:225749, activity:225750, activity:225751, activity:225752, activity:225753, activity:225754, activity:225755, activity:225756, activity:225757, activity:225758, activity:225759, activity:225760, activity:225761, activity:225762, activity:225763, activity:225764, activity:225765, activity:225766