101817

Source:http://linkedlifedata.com/resource/chembl/compound/101817

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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/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3
chemicalCompound:standardIn...	ZHDHSBKTLRLUCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCCCCCOc1ccc(cc1)c2nsc3cc(Br)ccc23)CC=C
chemicalCompound:molecularF...	C23H27BrN2OS
chemicalCompound:moleculeId	101817
chemicalCompound:mwFreebase	459.442
chemicalCompound:alogp	7.031
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	53.59
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.771
chemicalCompound:acdLogD	5.29
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	459.442
chemicalCompound:acdMostBpk...	8.877
chemicalCompound:chemblId	CHEMBL294809
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201817
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47643
chemicalCompound:activity	activity:557672, activity:557673, activity:1923464, activity:2503087, activity:2503109