771075

Source:http://linkedlifedata.com/resource/chembl/compound/771075

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:97
chemicalCompound:standardIn...	InChI=1S/C19H21N5O4.ClH.H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H;1H2
chemicalCompound:standardIn...	BZVASJSWLMETJK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4
chemicalCompound:molecularF...	C19H24ClN5O5
chemicalCompound:moleculeId	771075
chemicalCompound:mwFreebase	383.401
chemicalCompound:alogp	1.487
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	106.95
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.139
chemicalCompound:acdLogD	2.085
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.877
chemicalCompound:acdMostBpk...	6.524
chemicalCompound:chemblId	CHEMBL1347191
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:871075
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:3692750, activity:3707249, activity:4018558, activity:4073908, activity:4806181, activity:4820955, activity:4956060, activity:4974136, activity:4984864, activity:5033694, activity:5769804, activity:7510922