34470

Source:http://linkedlifedata.com/resource/chembl/compound/34470

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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/C26H28ClN3O5/c1-4-5-9-21-29-24(27)20(14-22(31)35-3)30(21)15-17-10-12-18(13-11-17)28-25(32)23-16(2)7-6-8-19(23)26(33)34/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H,28,32)(H,33,34)
chemicalCompound:standardIn...	LKRRFASIUJMGTQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3c(C)cccc3C(=O)O)cc2
chemicalCompound:molecularF...	C26 H28 Cl N3 O5
chemicalCompound:moleculeId	34470
chemicalCompound:mwFreebase	497.971
chemicalCompound:alogp	5.302
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.52
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.55
chemicalCompound:acdLogP	2.771
chemicalCompound:acdLogD	-0.318
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	497.971
chemicalCompound:acdMostBpk...	4.104
chemicalCompound:chemblId	CHEMBL281589
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134470
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:660044