454144

Source:http://linkedlifedata.com/resource/chembl/compound/454144

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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/C21H23N7O6/c1-10(14-9-23-17-16(24-14)19(32)27-21(22)26-17)28(2)12-5-3-11(4-6-12)18(31)25-13(20(33)34)7-8-15(29)30/h3-6,9-10,13H,7-8H2,1-2H3,(H,25,31)(H,29,30)(H,33,34)(H3,22,23,26,27,32)/t10?,13-/m0/s1
chemicalCompound:standardIn...	FLWWDYNPWOSLEO-HQVZTVAUSA-N
chemicalCompound:canonicalS...	CC(N(C)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2cnc3NC(=NC(=O)c3n2)N
chemicalCompound:molecularF...	C21H23N7O6
chemicalCompound:moleculeId	454144
chemicalCompound:mwFreebase	469.451
chemicalCompound:alogp	0.606
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	200.2
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.485
chemicalCompound:acdLogP	1.033
chemicalCompound:acdLogD	-3.7
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	469.451
chemicalCompound:acdMostBpk...	0.999
chemicalCompound:chemblId	CHEMBL453872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554144
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DENOPTERIN
chemicalCompound:activity	activity:2589878, activity:2589922