2904

Source:http://linkedlifedata.com/resource/chembl/compound/2904

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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/C24H22N10O4S/c25-22(26)16-5-3-4-15(10-16)19-11-24(38-31-19,13-34-14-29-32-33-34)23(35)30-21-9-8-17(12-28-21)18-6-1-2-7-20(18)39(27,36)37/h1-10,12,14H,11,13H2,(H3,25,26)(H2,27,36,37)(H,28,30,35)
chemicalCompound:standardIn...	NWIZWPMWIKFVDY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1cccc(c1)C2=NOC(Cn3cnnn3)(C2)C(=O)Nc4ccc(cn4)c5ccccc5S(=O)(=O)N
chemicalCompound:molecularF...	C24 H22 N10 O4 S
chemicalCompound:moleculeId	2904
chemicalCompound:mwFreebase	546.561
chemicalCompound:alogp	-0.028
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	225.59
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.746
chemicalCompound:acdLogP	0.75
chemicalCompound:acdLogD	-1.237
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	546.561
chemicalCompound:acdMostBpk...	10.89
chemicalCompound:chemblId	CHEMBL7651
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102904
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:378266, activity:378267, activity:378268, activity:378269, activity:378270, activity:383970, activity:383971, activity:383972