329475

Source:http://linkedlifedata.com/resource/chembl/compound/329475

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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:329475_L-870810_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
chemicalCompound:standardIn...	DIDKWCOCQJWMDJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c(nc(N2CCCCS2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4
chemicalCompound:molecularF...	C20H19FN4O4S
chemicalCompound:moleculeId	329475
chemicalCompound:mwFreebase	430.453
chemicalCompound:alogp	2.166
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	120.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.394
chemicalCompound:acdLogP	3.034
chemicalCompound:acdLogD	0.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	430.453
chemicalCompound:acdMostBpk...	0.228
chemicalCompound:chemblId	CHEMBL414850
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:429475
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:1610591, activity:1610592, activity:1610593, activity:1610594, activity:1610595, activity:1610596, activity:1610597, activity:1690287, activity:1690293, activity:1690299, activity:1758960, activity:1758961, activity:1758962, activity:1758976, activity:1758993, activity:2018433, activity:2018435, activity:2018442, activity:2018443, activity:2018445, activity:2018447, activity:2018448, activity:2018451, activity:2018453, activity:2018454, activity:2018457, activity:2018458, activity:2018459, activity:2018463, activity:2018464, activity:2018498, activity:2018499, activity:2018500, activity:2018501, activity:2018502, activity:2018503, activity:2018504, activity:2055837, activity:2158574, activity:2158576, activity:2158579, activity:2158582, activity:2158585, activity:2158588, activity:2158591, activity:2158594, activity:2158597, activity:2271558, activity:2271559, activity:2361035, activity:2361036, activity:2361037, activity:2361038, activity:2361039, activity:2361040, activity:2361041, activity:2361042, activity:2361043, activity:2595612, activity:2595686, activity:2595692, activity:2595698, activity:3473951, activity:3473955, activity:3473959