72191

Source:http://linkedlifedata.com/resource/chembl/compound/72191

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/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
chemicalCompound:standardIn...	IOSAAWHGJUZBOG-MNOVXSKESA-N
chemicalCompound:canonicalS...	CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
chemicalCompound:molecularF...	C14H23N5O
chemicalCompound:moleculeId	72191
chemicalCompound:mwFreebase	277.365
chemicalCompound:alogp	2.328
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	89.85
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.613
chemicalCompound:acdLogD	2.612
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.365
chemicalCompound:acdMostBpk...	4.329
chemicalCompound:chemblId	CHEMBL50378
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172191
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	EHNA
chemicalCompound:activity	activity:80634, activity:192707, activity:209220, activity:209221, activity:209222, activity:364094, activity:364095, activity:364096, activity:364097, activity:364098, activity:521020, activity:521021, activity:908200, activity:929659, activity:929660, activity:929661, activity:929662, activity:929663, activity:929664, activity:930183, activity:930184, activity:930185, activity:930186, activity:930187, activity:998452, activity:1014087, activity:1151209, activity:1162782, activity:1162783, activity:1162784, activity:1162785, activity:1162786, activity:1162787, activity:1162788, activity:1162789, activity:1162790, activity:1296101, activity:1506636, activity:2573363, activity:3462621, activity:3690834, activity:3726494, activity:3865418, activity:3878577, activity:4141223, activity:4178607, activity:4466603, activity:4659462, activity:5009999, activity:5016865, activity:5074666, activity:5083999, activity:5749403, activity:5770946, activity:5796018, activity:5962513, activity:5984956, activity:6002098, activity:6005033, activity:6036120, activity:6042808, activity:6063593, activity:6455414, activity:7473059, activity:7496164