606970

Source:http://linkedlifedata.com/resource/chembl/compound/606970

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H16N5O8P/c13-10-7-11(15-3-14-10)17(4-16-7)12-9(21)8(20)5(25-12)1-24-26(22,23)2-6(18)19/h3-5,8-9,12,20-21H,1-2H2,(H,18,19)(H,22,23)(H2,13,14,15)/t5-,8-,9+,12?/m1/s1
chemicalCompound:standardIn...	QMCLXDWCCQCWGE-BPOSCCBFSA-N
chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2C3O[C@H](COP(=O)(O)CC(=O)O)[C@@H](O)[C@@H]3O
chemicalCompound:molecularF...	C12H16N5O8P
chemicalCompound:moleculeId	606970
chemicalCompound:mwFreebase	389.258
chemicalCompound:alogp	-2.585
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	212.95
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.754
chemicalCompound:acdLogP	-2.085
chemicalCompound:acdLogD	-6.796
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	389.258
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL608342
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:706970
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:603385, activity:603386, activity:610764, activity:610765, activity:610766