803389

Source:http://linkedlifedata.com/resource/chembl/compound/803389

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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/C22H22N4O3S/c1-14-6-8-16(9-7-14)30(27,28)20-19-22(25-18-5-3-2-4-17(18)24-19)26(21(20)23)12-15-10-11-29-13-15/h2-9,15H,10-13,23H2,1H3
chemicalCompound:standardIn...	PATLRCDVWWHKOB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)c2c(N)n(CC3CCOC3)c4nc5ccccc5nc24
chemicalCompound:molecularF...	C22H22N4O3S
chemicalCompound:moleculeId	803389
chemicalCompound:mwFreebase	422.5
chemicalCompound:alogp	3.356
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	108.47
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.791
chemicalCompound:acdLogD	3.791
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.5
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1379505
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:903389
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:3657771, activity:3684851, activity:3712149, activity:3773448, activity:3799975, activity:3957069, activity:3985088, activity:4012398, activity:4016632, activity:4128267, activity:4204909, activity:4444073, activity:4469107, activity:4702002, activity:4807813, activity:4821309, activity:4859534, activity:4876761, activity:4888467, activity:4908593, activity:5009070, activity:5057661, activity:5339222, activity:5429559, activity:5588801, activity:5878415, activity:6603766, activity:6861621, activity:7147187, activity:7297838, activity:7476131, activity:7516040