276073

Source:http://linkedlifedata.com/resource/chembl/compound/276073

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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/C23H27ClN2O4/c1-15(27)30-22-19(18-7-5-6-8-21(18)29-4)14-16-13-17(24)9-10-20(16)26(23(22)28)12-11-25(2)3/h5-10,13,19,22H,11-12,14H2,1-4H3/t19-,22+/m0/s1
chemicalCompound:standardIn...	NWNGXIVUVIPBLD-SIKLNZKXSA-N
chemicalCompound:canonicalS...	COc1ccccc1[C@@H]2Cc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
chemicalCompound:molecularF...	C23 H27 Cl N2 O4
chemicalCompound:moleculeId	276073
chemicalCompound:mwFreebase	430.924
chemicalCompound:alogp	3.667
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	59.08
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.917
chemicalCompound:acdLogD	2.379
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	430.924
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL348940
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376073
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:652781, activity:652782, activity:652783, activity:652784, activity:652785