487348

Source:http://linkedlifedata.com/resource/chembl/compound/487348

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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:487807
chemicalCompound:standardIn...	InChI=1S/C23H28FN7O6S.Na/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)31(38(4,36)37)23-27-28-29-30(23)3;/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1
chemicalCompound:standardIn...	LROFUSVIUPUCHT-DHMAKVBVSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)c1nc(nc(c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c2ccc(F)cc2)N(c3nnnn3C)S(=O)(=O)C
chemicalCompound:molecularF...	C23H27FN7NaO6S
chemicalCompound:moleculeId	487348
chemicalCompound:mwFreebase	549.575
chemicalCompound:alogp	1.855
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	192.89
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.243
chemicalCompound:acdLogP	0.596
chemicalCompound:acdLogD	-2.462
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	571.557
chemicalCompound:chemblId	CHEMBL468631
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:587348
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:2218041, activity:2218064, activity:2218089, activity:2218104, activity:2218124