34657

Source:http://linkedlifedata.com/resource/chembl/compound/34657

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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/C26H30ClN3O4/c1-3-4-10-23-29-24(27)22(17-34-2)30(23)16-19-11-13-20(14-12-19)25(31)28-21(26(32)33)15-18-8-6-5-7-9-18/h5-9,11-14,21H,3-4,10,15-17H2,1-2H3,(H,28,31)(H,32,33)/t21-/m0/s1
chemicalCompound:standardIn...	ZBGYAZYHZXKTES-NRFANRHFSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(COC)n1Cc2ccc(cc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)O
chemicalCompound:molecularF...	C26 H30 Cl N3 O4
chemicalCompound:moleculeId	34657
chemicalCompound:mwFreebase	483.987
chemicalCompound:alogp	4.831
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	93.45
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.71
chemicalCompound:acdLogP	2.852
chemicalCompound:acdLogD	-0.607
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	483.987
chemicalCompound:acdMostBpk...	4.364
chemicalCompound:chemblId	CHEMBL431697
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134657
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:657454