4347

Source:http://linkedlifedata.com/resource/chembl/compound/4347

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:4347_LY-379268_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
chemicalCompound:standardIn...	YASVRZWVUGJELU-MDASVERJSA-N
chemicalCompound:canonicalS...	N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C7 H9 N O5
chemicalCompound:moleculeId	4347
chemicalCompound:mwFreebase	187.15
chemicalCompound:alogp	-4.411
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	109.85
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.815
chemicalCompound:acdLogP	-0.536
chemicalCompound:acdLogD	-4.059
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	187.15
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL275079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104347
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LY-379268
chemicalCompound:activity	activity:306474, activity:306475, activity:306476, activity:306477, activity:306478, activity:306479, activity:306480, activity:306481, activity:306482, activity:306483, activity:306484, activity:306485, activity:306486, activity:306487, activity:306488, activity:306489, activity:306490, activity:306491, activity:306492, activity:306493, activity:306494, activity:306495, activity:306496, activity:306497, activity:306498, activity:306499, activity:306500, activity:328175, activity:328176, activity:328177, activity:328178, activity:328179, activity:328180, activity:343589, activity:343590, activity:343591, activity:343592, activity:343593, activity:343594, activity:626058, activity:626059, activity:626060, activity:626061, activity:626062, activity:626063, activity:626064, activity:626065, activity:1803046, activity:1803051, activity:1803056, activity:1803061, activity:1803066, activity:1803074, activity:1803079, activity:1803084, activity:1803089, activity:1804047, activity:1804056, activity:1804062, activity:1804068