911634

Source:http://linkedlifedata.com/resource/chembl/compound/911634

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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/C27H24N2O6/c1-3-34-25-15-19(6-13-24(25)35-17-18-4-7-20(8-5-18)27(31)32)14-21(16-28)26(30)29-22-9-11-23(33-2)12-10-22/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b21-14-
chemicalCompound:standardIn...	RLFZNDWNWIDENF-STZFKDTASA-N
chemicalCompound:canonicalS...	CCOc1cc(\C=C(\C#N)/C(=O)Nc2ccc(OC)cc2)ccc1OCc3ccc(cc3)C(=O)O
chemicalCompound:molecularF...	C27H24N2O6
chemicalCompound:moleculeId	911634
chemicalCompound:mwFreebase	472.489
chemicalCompound:alogp	4.434
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	117.88
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.16
chemicalCompound:acdLogP	3.405
chemicalCompound:acdLogD	0.512
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	472.489
chemicalCompound:acdMostBpk...	1.033
chemicalCompound:chemblId	CHEMBL1487750
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1011634
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:3788886, activity:4075388, activity:4225561, activity:4303949, activity:4696549, activity:5385900, activity:5491892, activity:5693811, activity:5765193, activity:5850371, activity:6857446, activity:6931109, activity:6996836, activity:9812732, activity:10444559, activity:10607965