807870

Source:http://linkedlifedata.com/resource/chembl/compound/807870

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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/C24H26N4O6S/c1-5-33-19-12-16(8-11-18(19)34-35(31,32)17-9-6-13(2)7-10-17)22(20-14(3)25-27-23(20)29)21-15(4)26-28-24(21)30/h6-12,22H,5H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
chemicalCompound:standardIn...	QCDJENTUMCYGBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cc(ccc1OS(=O)(=O)c2ccc(C)cc2)C(c3c(C)n[nH]c3O)c4c(C)n[nH]c4O
chemicalCompound:molecularF...	C24H26N4O6S
chemicalCompound:moleculeId	807870
chemicalCompound:mwFreebase	498.551
chemicalCompound:alogp	4.26
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	158.79
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.316
chemicalCompound:acdLogP	1.103
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	498.551
chemicalCompound:acdMostBpk...	2.549
chemicalCompound:chemblId	CHEMBL1383986
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:907870
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:3659202, activity:3802195, activity:3941962, activity:4026462, activity:4587334, activity:4906253, activity:5390099, activity:5728926, activity:5859221, activity:6547721, activity:6772948, activity:6906795, activity:7119549, activity:7391809