605736

Source:http://linkedlifedata.com/resource/chembl/compound/605736

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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/C9H14N5O13P3/c10-6-3-7(12-1-11-6)14(2-13-3)8-4(15)5(16)9(24-8)25-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4-5,8-9,15-16H,(H,20,21)(H,22,23)(H2,10,11,12)(H2,17,18,19)/t4-,5+,8?,9?/m1/s1
chemicalCompound:standardIn...	PUWWXRBCXWPLIC-OZUNKVAOSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2C3OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C9H14N5O13P3
chemicalCompound:moleculeId	605736
chemicalCompound:mwFreebase	493.154
chemicalCompound:alogp	-2.355
chemicalCompound:hba	17
chemicalCompound:hbd	7
chemicalCompound:psa	308.55
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.891
chemicalCompound:acdLogP	-3.041
chemicalCompound:acdLogD	-9.053
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	493.154
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL604973
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:705736
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:45232, activity:45233