762184

Source:http://linkedlifedata.com/resource/chembl/compound/762184

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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/C28H33N3O8S/c1-37-22-6-2-20(3-7-22)25-24(27(33)28(34)31(25)11-10-29-12-16-38-17-13-29)26(32)21-4-8-23(9-5-21)40(35,36)30-14-18-39-19-15-30/h2-9,25,33H,10-19H2,1H3
chemicalCompound:standardIn...	BUMSVKXPNIVEOA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C2N(CCN3CCOCC3)C(=O)C(=C2C(=O)c4ccc(cc4)S(=O)(=O)N5CCOCC5)O
chemicalCompound:molecularF...	C28H33N3O8S
chemicalCompound:moleculeId	762184
chemicalCompound:mwFreebase	571.642
chemicalCompound:alogp	1
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	134.3
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.799
chemicalCompound:acdLogD	0.062
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	571.642
chemicalCompound:acdMostBpk...	6.692
chemicalCompound:chemblId	CHEMBL1338300
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:862184
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:4346505, activity:5762835, activity:5845469