838751

Source:http://linkedlifedata.com/resource/chembl/compound/838751

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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/C21H20BrN5O2/c1-25-17-18(24-20(25)23-12-14-6-4-3-5-7-14)26(2)21(29)27(19(17)28)13-15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3,(H,23,24)
chemicalCompound:standardIn...	HOVOSQGINWPYJW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(Cc2ccc(Br)cc2)C(=O)c3c1nc(NCc4ccccc4)n3C
chemicalCompound:molecularF...	C21H20BrN5O2
chemicalCompound:moleculeId	838751
chemicalCompound:mwFreebase	454.32
chemicalCompound:alogp	3.693
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	70.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.647
chemicalCompound:acdLogD	4.647
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	454.32
chemicalCompound:acdMostBpk...	1.696
chemicalCompound:chemblId	CHEMBL1414867
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:938751
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:3656608, activity:3684292, activity:3772240, activity:3965532, activity:4056970, activity:4079478, activity:4084592, activity:4129029, activity:4188700, activity:4421003, activity:4520851, activity:4529112, activity:4595631, activity:4651268, activity:4711936, activity:4799392, activity:4848517, activity:4898055, activity:4947962, activity:4966147, activity:5457039, activity:5787215, activity:5841914, activity:5966777, activity:6697081, activity:6839814, activity:6980334, activity:7282783, activity:7347762, activity:7446134, activity:7484924, activity:7502304