21262

Source:http://linkedlifedata.com/resource/chembl/compound/21262

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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/c24-18-8-2-16(3-9-18)6-12-20(26)22-14-1-15-23-21(27)13-7-17-4-10-19(25)11-5-17/h2-5,8-11,24-25H,1,6-7,12-15H2,(H,22,26)(H,23,27)
chemicalCompound:standardIn...	QVRHXGPCSPYJFO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(CCC(=O)NCCCNC(=O)CCc2ccc(O)cc2)cc1
chemicalCompound:molecularF...	C21 H26 N2 O4
chemicalCompound:moleculeId	21262
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...	9.702
chemicalCompound:acdLogP	2.419
chemicalCompound:acdLogD	2.417
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.442
chemicalCompound:chemblId	CHEMBL279601
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121262
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:699823, activity:699824, activity:8275147, activity:8295797, activity:8343059, activity:8375544, activity:8412677, activity:8530566, activity:8582086, activity:8607134, activity:8608935, activity:8674865, activity:8703082, activity:8792161, activity:8821915, activity:8824561, activity:8869512, activity:8889335, activity:8979266, activity:9003987, activity:9028717, activity:9098691, activity:9136223, activity:9154298, activity:9242882, activity:9327128, activity:9337550, activity:9390317, activity:9471360, activity:9527191, activity:9537679, activity:9642749, activity:9762174, activity:9773608, activity:9810620, activity:9904327, activity:9938147, activity:9975777, activity:10010813, activity:10065184, activity:10167331, activity:10182985, activity:10200621, activity:10225179, activity:10310446, activity:10312560, activity:10352821, activity:10380637, activity:10416393, activity:10469442, activity:10487965, activity:10558623, activity:10623489, activity:10721373, activity:10741705, activity:10768883, activity:10801004