463

Source:http://linkedlifedata.com/resource/chembl/compound/463

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:678581
chemicalCompound:synonym	synonym:463_Ro-48-1220_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C10H10N2O5S.Na/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17;/h2-3,7-8H,5H2,1H3,(H,14,15);/q;+1/p-1/b3-2+;/t7-,8+,10+;/m1./s1
chemicalCompound:standardIn...	DRNHQKOSAXWVCX-LSTOSFGNSA-M
chemicalCompound:canonicalS...	[Na+].C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)[O-]
chemicalCompound:molecularF...	C10 H9 N2 O5 S . Na
chemicalCompound:moleculeId	463
chemicalCompound:mwFreebase	270.262
chemicalCompound:alogp	-0.608
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	123.92
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.2
chemicalCompound:acdLogP	0.618
chemicalCompound:acdLogD	-3.117
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	292.244
chemicalCompound:chemblId	CHEMBL6461
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100463
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	Ro-481220
chemicalCompound:activity	activity:830527, activity:830528, activity:830529, activity:830530, activity:830531, activity:830532, activity:830533, activity:830534, activity:830535, activity:830536, activity:830537, activity:830538, activity:830539, activity:830540, activity:830541, activity:830542, activity:830543, activity:830544, activity:830545, activity:830546, activity:830547, activity:830548, activity:830549, activity:830550, activity:830551, activity:830552, activity:830553, activity:830554, activity:830555, activity:830556, activity:830557, activity:830558, activity:830559, activity:830560, activity:830561, activity:830562, activity:830563, activity:830564, activity:830565, activity:830566, activity:830567, activity:830568, activity:830569, activity:830570, activity:830571, activity:830572, activity:830573, activity:830574, activity:830575, activity:830576, activity:830577, activity:830578, activity:830579, activity:830580, activity:1023708, activity:1023709, activity:1023710, activity:1023711, activity:1023712, activity:1023713