785895

Source:http://linkedlifedata.com/resource/chembl/compound/785895

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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/C22H34N2O3S/c1-25-19-13-17(14-20(26-2)21(19)27-3)10-7-11-24-18(15-23-22(24)28)12-16-8-5-4-6-9-16/h13-14,16,18H,4-12,15H2,1-3H3,(H,23,28)/t18-/m0/s1
chemicalCompound:standardIn...	GNQUKMCFENZVFS-SFHVURJKSA-N
chemicalCompound:canonicalS...	COc1cc(CCCN2[C@@H](CC3CCCCC3)CN=C2S)cc(OC)c1OC
chemicalCompound:molecularF...	C22H34N2O3S
chemicalCompound:moleculeId	785895
chemicalCompound:mwFreebase	406.582
chemicalCompound:alogp	5.596
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	82.09
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.898
chemicalCompound:acdLogD	2.399
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	406.582
chemicalCompound:acdMostBpk...	10.787
chemicalCompound:chemblId	CHEMBL1362011
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:885895
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:4097300, activity:4782697, activity:5853243, activity:5865842, activity:6528740, activity:6618560, activity:6762895, activity:6947530, activity:6960774, activity:7133832