321878

Source:http://linkedlifedata.com/resource/chembl/compound/321878

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:321878_E-64_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10?,11?/m0/s1
chemicalCompound:standardIn...	LTLYEAJONXGNFG-WHXUTIOJSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](NC(=O)C1OC1C(=O)O)C(=O)NCCCCNC(=N)N
chemicalCompound:molecularF...	C15H27N5O5
chemicalCompound:moleculeId	321878
chemicalCompound:mwFreebase	357.405
chemicalCompound:alogp	-0.864
chemicalCompound:hba	6
chemicalCompound:hbd	6
chemicalCompound:psa	169.92
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.157
chemicalCompound:acdLogP	-0.565
chemicalCompound:acdLogD	-3.064
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	357.405
chemicalCompound:acdMostBpk...	13.696
chemicalCompound:chemblId	CHEMBL189382
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:421878
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:176452, activity:176453, activity:318479, activity:318480, activity:318481, activity:635457, activity:648998, activity:759052, activity:892316, activity:1277288, activity:1277289, activity:1277290, activity:1277291, activity:1277292, activity:1277293, activity:1277294, activity:1277295, activity:1277296, activity:1510675, activity:1510676, activity:1688136, activity:1688154, activity:1834124, activity:1834130, activity:1834132, activity:1835344, activity:1836465, activity:1836467, activity:1836470, activity:1836472, activity:1836473, activity:1841291, activity:1841292, activity:2001328, activity:2102983, activity:2102999, activity:2103000, activity:2103002, activity:2187467, activity:2187469, activity:2200943, activity:2200949, activity:2200955, activity:2200960, activity:2200966, activity:2277442, activity:2338315, activity:2400664, activity:2514570, activity:2514591, activity:2514596, activity:2654341, activity:2655079, activity:2655080, activity:2655082, activity:3062693, activity:3062703, activity:3062722, activity:3062732, activity:3096711, activity:3096770, activity:3244277, activity:3244310, activity:3245356, activity:3245374