100844

Source:http://linkedlifedata.com/resource/chembl/compound/100844

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/C8H11ClN5O4P/c9-8-12-6(10)5-7(13-8)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,10,12,13)(H2,15,16,17)
chemicalCompound:standardIn...	ZDHWFBDIRXPDEX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(Cl)nc2c1ncn2CCOCP(=O)(O)O
chemicalCompound:molecularF...	C8 H11 Cl N5 O4 P
chemicalCompound:moleculeId	100844
chemicalCompound:mwFreebase	307.631
chemicalCompound:alogp	-0.294
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	146.19
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.636
chemicalCompound:acdLogP	-1.212
chemicalCompound:acdLogD	-5.128
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	307.631
chemicalCompound:acdMostBpk...	1.602
chemicalCompound:chemblId	CHEMBL432722
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200844
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:521708, activity:521709, activity:521710, activity:521711, activity:521712, activity:521713, activity:521714, activity:521715, activity:521716, activity:521717, activity:521718, activity:521719, activity:521720, activity:521721, activity:521722, activity:521723, activity:521724