32500

Source:http://linkedlifedata.com/resource/chembl/compound/32500

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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/C17H19IO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-17,19-20H,2,11H2,1H3/t16-,17+/m1/s1
chemicalCompound:standardIn...	BTKKPGVOGPPAAQ-SJORKVTESA-N
chemicalCompound:canonicalS...	CC[C@@H]([C@@H](CI)c1ccc(O)cc1)c2ccc(O)cc2
chemicalCompound:molecularF...	C17 H19 I O2
chemicalCompound:moleculeId	32500
chemicalCompound:mwFreebase	382.236
chemicalCompound:alogp	5.458
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	40.46
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.884
chemicalCompound:acdLogP	4.586
chemicalCompound:acdLogD	4.583
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	382.236
chemicalCompound:chemblId	CHEMBL25882
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:132500
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:276286, activity:276287, activity:276288, activity:276289, activity:276290, activity:276291, activity:276292, activity:276293, activity:276294, activity:276295, activity:276296, activity:276297, activity:276298, activity:276299, activity:276300, activity:276301, activity:276302, activity:276303, activity:276304, activity:276305, activity:276306, activity:276307, activity:276308, activity:276309, activity:276310, activity:276311, activity:276312, activity:276313, activity:276314, activity:276315, activity:276316, activity:276317, activity:276318, activity:276319, activity:276320, activity:276321, activity:276322, activity:276323, activity:276324, activity:276325, activity:276326, activity:1046727