101055

Source:http://linkedlifedata.com/resource/chembl/compound/101055

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/C11H18N5O5P/c1-7(2)21-22(18,19)6-20-4-3-16-5-13-8-9(16)14-11(12)15-10(8)17/h5,7H,3-4,6H2,1-2H3,(H,18,19)(H3,12,14,15,17)
chemicalCompound:standardIn...	XTHDWDARUULOJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OP(=O)(O)COCCn1cnc2c(O)nc(N)nc12
chemicalCompound:molecularF...	C11 H18 N5 O5 P
chemicalCompound:moleculeId	101055
chemicalCompound:mwFreebase	331.265
chemicalCompound:alogp	-0.105
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	155.41
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.459
chemicalCompound:acdLogP	-1.328
chemicalCompound:acdLogD	-4.828
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	331.265
chemicalCompound:acdMostBpk...	10.112
chemicalCompound:chemblId	CHEMBL62367
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201055
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:524384, activity:524385, activity:524386, activity:524387, activity:524388, activity:524389, activity:524390, activity:524391, activity:524392, activity:524393, activity:524394, activity:524395, activity:524396, activity:524397, activity:524398, activity:524399, activity:524400