361768

Source:http://linkedlifedata.com/resource/chembl/compound/361768

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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/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)/t21-,22-
chemicalCompound:standardIn...	ZWTVVWUOTJRXKM-HZCBDIJESA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@@]34CC[C@@](CCC(=O)O)(CC3)CC4
chemicalCompound:molecularF...	C22 H32 N4 O4
chemicalCompound:moleculeId	361768
chemicalCompound:mwFreebase	416.514
chemicalCompound:alogp	3.686
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	106.6
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.809
chemicalCompound:acdLogP	3.46
chemicalCompound:acdLogD	0.899
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.514
chemicalCompound:acdMostBpk...	2.094
chemicalCompound:chemblId	CHEMBL386974
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:461768
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:1781426, activity:1781444, activity:1781474, activity:1781492, activity:1781498, activity:1781499, activity:1781500, activity:1781501, activity:1781514, activity:1781515, activity:1781516, activity:1781518, activity:1781519, activity:1781520, activity:1781521, activity:1781522, activity:1781523, activity:1781524, activity:1781525, activity:1781526, activity:1781538, activity:1781540, activity:1781542, activity:1781547, activity:1781548, activity:1781549, activity:1781550