776406

Source:http://linkedlifedata.com/resource/chembl/compound/776406

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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/C18H30N4O3S2/c1-24-10-5-19-17(23)14-20-18(26)22(15-16-4-2-13-27-16)7-3-6-21-8-11-25-12-9-21/h2,4,13H,3,5-12,14-15H2,1H3,(H,19,23)(H,20,26)
chemicalCompound:standardIn...	GTTJEYYEHDEWFB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCNC(=O)CN=C(S)N(CCCN1CCOCC1)Cc2cccs2
chemicalCompound:molecularF...	C18H30N4O3S2
chemicalCompound:moleculeId	776406
chemicalCompound:mwFreebase	414.586
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	133.44
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.565
chemicalCompound:acdLogP	1.387
chemicalCompound:acdLogD	-1.216
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	414.586
chemicalCompound:acdMostBpk...	12.395
chemicalCompound:chemblId	CHEMBL1352522
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:876406
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:4182867, activity:6896651