34270

Source:http://linkedlifedata.com/resource/chembl/compound/34270

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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/C24H24Cl3N3O4/c1-3-4-5-19-29-22(27)18(13-34-2)30(19)12-14-6-8-15(9-7-14)28-23(31)20-16(25)10-11-17(26)21(20)24(32)33/h6-11H,3-5,12-13H2,1-2H3,(H,28,31)(H,32,33)
chemicalCompound:standardIn...	HAKWRUOSUUMJEF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(COC)n1Cc2ccc(NC(=O)c3c(Cl)ccc(Cl)c3C(=O)O)cc2
chemicalCompound:molecularF...	C24 H24 Cl3 N3 O4
chemicalCompound:moleculeId	34270
chemicalCompound:mwFreebase	524.824
chemicalCompound:alogp	5.845
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	93.45
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.823
chemicalCompound:acdLogP	3.746
chemicalCompound:acdLogD	0.599
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	524.824
chemicalCompound:acdMostBpk...	4.501
chemicalCompound:chemblId	CHEMBL276956
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134270
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:174410, activity:662436