364608

Source:http://linkedlifedata.com/resource/chembl/compound/364608

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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/C21H24N8O5/c1-22-19-15-20(29(10-23-15)21-17(32)16(31)14(9-30)34-21)25-18(24-19)13-8-28(27-26-13)7-11-4-3-5-12(6-11)33-2/h3-6,8,10,14,16-17,21,30-32H,7,9H2,1-2H3,(H,22,24,25)/t14-,16-,17-,21-/m1/s1
chemicalCompound:standardIn...	DDQQKJAAJWVZAV-VGKBRBPRSA-N
chemicalCompound:canonicalS...	CNc1nc(nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4cn(Cc5cccc(OC)c5)nn4
chemicalCompound:molecularF...	C21 H24 N8 O5
chemicalCompound:moleculeId	364608
chemicalCompound:mwFreebase	468.466
chemicalCompound:alogp	0
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	165.48
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.079
chemicalCompound:acdLogP	2.182
chemicalCompound:acdLogD	2.181
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.466
chemicalCompound:acdMostBpk...	1.397
chemicalCompound:chemblId	CHEMBL384900
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464608
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:1795720, activity:1795738, activity:1795761, activity:1795784, activity:1795817, activity:1795842