32852

Source:http://linkedlifedata.com/resource/chembl/compound/32852

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:32852_BRL-37344_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
chemicalCompound:standardIn...	ZGGNJJJYUVRADP-ACJLOTCBSA-N
chemicalCompound:canonicalS...	C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c2cccc(Cl)c2
chemicalCompound:molecularF...	C19 H22 Cl N O4
chemicalCompound:moleculeId	32852
chemicalCompound:mwFreebase	363.835
chemicalCompound:alogp	0.563
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	78.79
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.181
chemicalCompound:acdLogP	2.613
chemicalCompound:acdLogD	0.104
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	363.835
chemicalCompound:acdMostBpk...	8.982
chemicalCompound:chemblId	CHEMBL284782
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:132852
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:170017, activity:170018, activity:170019, activity:170020, activity:170021, activity:470370, activity:470371, activity:470372, activity:470373, activity:470374, activity:470375, activity:470376, activity:470377, activity:470378, activity:546391, activity:546392, activity:546393, activity:546394, activity:546395, activity:546396, activity:546397, activity:552533, activity:552534, activity:552535, activity:552536, activity:552537, activity:552538, activity:552539, activity:552540, activity:564197, activity:564198, activity:564199, activity:564200, activity:564201, activity:849521, activity:849522, activity:849523, activity:849524, activity:976134, activity:976135, activity:976136, activity:976137, activity:976138, activity:1155357, activity:1155358, activity:1155359, activity:1155360, activity:1155361, activity:1155362, activity:1875824, activity:2138183, activity:2138194, activity:2138208, activity:3472787