255942

Source:http://linkedlifedata.com/resource/chembl/compound/255942

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/C11H16ClN5O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t5-,6-,7?/m1/s1
chemicalCompound:standardIn...	AWSMOXWWSLFSCL-CQMSUOBXSA-N
chemicalCompound:canonicalS...	CNc1nc(Cl)nc2c1ncn2C3C[C@@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3
chemicalCompound:molecularF...	C11 H16 Cl N5 O9 P2
chemicalCompound:moleculeId	255942
chemicalCompound:mwFreebase	459.673
chemicalCompound:alogp	-0.319
chemicalCompound:hba	13
chemicalCompound:hbd	5
chemicalCompound:psa	217.99
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.835
chemicalCompound:acdLogP	-3.796
chemicalCompound:acdLogD	-9.821
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	459.673
chemicalCompound:acdMostBpk...	1.426
chemicalCompound:chemblId	CHEMBL154065
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355942
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:433586