172607

Source:http://linkedlifedata.com/resource/chembl/compound/172607

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/C12H17ClN5O6P/c1-7(19)23-4-8(5-24-25(20,21)22)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8H,3-5H2,1-2H3,(H,14,16,17)(H2,20,21,22)
chemicalCompound:standardIn...	GRNDXUPUOYPZJB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1nc(Cl)nc2c1ncn2CC(COC(=O)C)COP(=O)(O)O
chemicalCompound:molecularF...	C12 H17 Cl N5 O6 P
chemicalCompound:moleculeId	172607
chemicalCompound:mwFreebase	393.72
chemicalCompound:alogp	0.46
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	158.5
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.858
chemicalCompound:acdLogP	-1.268
chemicalCompound:acdLogD	-5.524
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	393.72
chemicalCompound:acdMostBpk...	1.532
chemicalCompound:chemblId	CHEMBL320073
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272607
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:473185, activity:1225173, activity:1225174