631040

Source:http://linkedlifedata.com/resource/chembl/compound/631040

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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/C19H21F3N6OS/c1-18(2)16(29)28(14-8-7-13(12-23)15(11-14)19(20,21)22)17(30)27(18)10-6-4-3-5-9-25-26-24/h7-8,11H,3-6,9-10H2,1-2H3
chemicalCompound:standardIn...	NZPLDQDYXZYGHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)N(CCCCCCN=[N+]=[N-])C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F
chemicalCompound:molecularF...	C19H21F3N6OS
chemicalCompound:moleculeId	631040
chemicalCompound:mwFreebase	438.47
chemicalCompound:alogp	6.186
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	129.18
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.455
chemicalCompound:acdLogD	4.455
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.47
chemicalCompound:acdMostBpk...	0.265
chemicalCompound:chemblId	CHEMBL1085882
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:731040
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:3302312