451910

Source:http://linkedlifedata.com/resource/chembl/compound/451910

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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/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)
chemicalCompound:standardIn...	HUKGACBEOZARIH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)CCn1c2ccc(O)cc2c3c4C(=O)NC(=O)c4c(cc13)c5ccccc5Cl
chemicalCompound:molecularF...	C24H17ClN2O5
chemicalCompound:moleculeId	451910
chemicalCompound:mwFreebase	448.855
chemicalCompound:alogp	4.251
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	97.63
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.706
chemicalCompound:acdLogP	4.592
chemicalCompound:acdLogD	4.561
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448.855
chemicalCompound:chemblId	CHEMBL487891
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:551910
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:2238867, activity:2238868, activity:2238869, activity:2239651, activity:2308269, activity:2308438