34269

Source:http://linkedlifedata.com/resource/chembl/compound/34269

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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/C22H28ClN3O5/c1-3-4-6-18-25-22(23)17(13-21(30)31-2)26(18)14-15-9-11-16(12-10-15)24-19(27)7-5-8-20(28)29/h9-12H,3-8,13-14H2,1-2H3,(H,24,27)(H,28,29)
chemicalCompound:standardIn...	FDERFHGPKQZXCV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)CCCC(=O)O)cc2
chemicalCompound:molecularF...	C22 H28 Cl N3 O5
chemicalCompound:moleculeId	34269
chemicalCompound:mwFreebase	449.928
chemicalCompound:alogp	3.823
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.52
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.637
chemicalCompound:acdLogP	1.45
chemicalCompound:acdLogD	-1.316
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	449.928
chemicalCompound:acdMostBpk...	4.114
chemicalCompound:chemblId	CHEMBL25574
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134269
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:159896, activity:660043