1111043

Source:http://linkedlifedata.com/resource/chembl/compound/1111043

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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/C20H19N7O3S/c1-26-16(21)15(18(29)23-19(26)30)14(28)9-31-20-25-24-17(27(20)10-6-7-10)12-8-22-13-5-3-2-4-11(12)13/h2-5,8,10,22H,6-7,9,21H2,1H3,(H,23,29,30)
chemicalCompound:standardIn...	CAFCPTZYUFRUPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)NC(=O)C(=C1N)C(=O)CSc2nnc(c3c[nH]c4ccccc34)n2C5CC5
chemicalCompound:molecularF...	C20H19N7O3S
chemicalCompound:moleculeId	1111043
chemicalCompound:mwFreebase	437.475
chemicalCompound:alogp	1.542
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	164.3
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.68
chemicalCompound:acdLogP	1.69
chemicalCompound:acdLogD	1.505
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.475
chemicalCompound:acdMostBpk...	2.142
chemicalCompound:chemblId	CHEMBL1730312
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1211043
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:5550294, activity:5590605, activity:5711958, activity:5814970, activity:5909557, activity:6499278, activity:6838791, activity:6910035, activity:7004594, activity:7072876, activity:7100432, activity:7198031