1308970

Source:http://linkedlifedata.com/resource/chembl/compound/1308970

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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/C23H20N4O3/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)
chemicalCompound:standardIn...	KAKGFGCTONHQJW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(COc1cncc(c1)c2ccc3NC(=O)Oc3c2)Cc4c[nH]c5ccccc45
chemicalCompound:molecularF...	C23H20N4O3
chemicalCompound:moleculeId	1308970
chemicalCompound:mwFreebase	400.43
chemicalCompound:alogp	3.089
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	102.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.863
chemicalCompound:acdLogP	1.693
chemicalCompound:acdLogD	0.083
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	400.43
chemicalCompound:acdMostBpk...	9.255
chemicalCompound:chemblId	CHEMBL1987679
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1408970
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:9508017, activity:9511409, activity:9519503, activity:9520039, activity:9520253, activity:9520514, activity:9520745, activity:9523364, activity:9523782, activity:9528008, activity:9529014, activity:9532950, activity:9533296, activity:9535997, activity:9536250, activity:9536516, activity:9536756, activity:9539888, activity:9540459, activity:9545403, activity:9548747, activity:9548950, activity:9549337, activity:9552210, activity:9552536, activity:9552776, activity:9557298, activity:9557840, activity:9561081, activity:9561617, activity:9565359, activity:9565743, activity:9568816, activity:9570318, activity:9572190, activity:9573477, activity:9574840, activity:9574908, activity:9575190, activity:9575551, activity:9576184, activity:9577667, activity:9578412, activity:9580138, activity:9580362, activity:9581707, activity:9581810, activity:9583131, activity:9583224, activity:9584557, activity:9584928, activity:9586304, activity:9586708, activity:9587266, activity:9587519, activity:9587768, activity:9589295, activity:9590002, activity:9592318, activity:9592708, activity:9593517, activity:9594489, activity:9594807, activity:9595242, activity:9595614, activity:9596365