20596

Source:http://linkedlifedata.com/resource/chembl/compound/20596

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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/C21H26N2O4/c24-18-6-1-4-16(14-18)8-10-20(26)22-12-3-13-23-21(27)11-9-17-5-2-7-19(25)15-17/h1-2,4-7,14-15,24-25H,3,8-13H2,(H,22,26)(H,23,27)
chemicalCompound:standardIn...	DGDCESNTXUUFGQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc(CCC(=O)NCCCNC(=O)CCc2cccc(O)c2)c1
chemicalCompound:molecularF...	C21 H26 N2 O4
chemicalCompound:moleculeId	20596
chemicalCompound:mwFreebase	370.442
chemicalCompound:alogp	2.455
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	98.66
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.647
chemicalCompound:acdLogP	2.373
chemicalCompound:acdLogD	2.371
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.442
chemicalCompound:chemblId	CHEMBL418178
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:120596
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:676893, activity:676894, activity:8240979, activity:8248342, activity:8305460, activity:8362013, activity:8391609, activity:8403027, activity:8464611, activity:8493280, activity:8563021, activity:8578404, activity:8583276, activity:8660202, activity:8714868, activity:8759282, activity:8762009, activity:8825340, activity:8863756, activity:8894594, activity:8919465, activity:8958163, activity:9039248, activity:9062890, activity:9148021, activity:9175217, activity:9279030, activity:9289638, activity:9347570, activity:9424099, activity:9437489, activity:9500245, activity:9554995, activity:9679093, activity:9703385, activity:9758780, activity:9854266, activity:9883280, activity:9921354, activity:9954784, activity:9998379, activity:10009772, activity:10072262, activity:10117675, activity:10159337, activity:10204207, activity:10241407, activity:10315800, activity:10317706, activity:10359972, activity:10434048, activity:10436481, activity:10485352, activity:10582807, activity:10663095, activity:10691521, activity:10777748, activity:10784719