71199

Source:http://linkedlifedata.com/resource/chembl/compound/71199

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H17N3O6/c1-6(12)10(17)14-7(11(18)19)5-13-8(15)3-4-9(16)20-2/h3-4,6-7H,5,12H2,1-2H3,(H,13,15)(H,14,17)(H,18,19)/b4-3+/t6-,7+/m0/s1
chemicalCompound:standardIn...	FYTQCODELWEUGB-HKFDCFJWSA-N
chemicalCompound:canonicalS...	COC(=O)\C=C\C(=O)NC[C@@H](NC(=O)[C@H](C)N)C(=O)O
chemicalCompound:molecularF...	C11 H17 N3 O6
chemicalCompound:moleculeId	71199
chemicalCompound:mwFreebase	287.269
chemicalCompound:alogp	-4.304
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	147.82
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.943
chemicalCompound:acdLogP	-2.017
chemicalCompound:acdLogD	-4.617
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	287.269
chemicalCompound:acdMostBpk...	8.614
chemicalCompound:chemblId	CHEMBL45710
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:171199
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:866521, activity:866522, activity:866523, activity:866524, activity:866525