623216

Source:http://linkedlifedata.com/resource/chembl/compound/623216

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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/C30H38N4O6S/c1-21(2)25-10-6-11-26(22(3)4)27(25)40-41(37,38)33-28(36)30(23-8-5-9-24(20-23)39-19-18-35)12-16-34(17-13-30)29-31-14-7-15-32-29/h5-11,14-15,20-22,35H,12-13,16-19H2,1-4H3,(H,33,36)
chemicalCompound:standardIn...	ZPRVBJCXUXKGNF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)C2(CCN(CC2)c3ncccn3)c4cccc(OCCO)c4
chemicalCompound:molecularF...	C30H38N4O6S
chemicalCompound:moleculeId	623216
chemicalCompound:mwFreebase	582.711
chemicalCompound:alogp	4.88
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	139.32
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.987
chemicalCompound:acdLogP	3.797
chemicalCompound:acdLogD	1.796
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	582.711
chemicalCompound:acdMostBpk...	5.045
chemicalCompound:chemblId	CHEMBL1093825
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:723216
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:3236502, activity:3236546