818640

Source:http://linkedlifedata.com/resource/chembl/compound/818640

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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/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m1/s1
chemicalCompound:standardIn...	XIQVNETUBQGFHX-JOCHJYFZSA-N
chemicalCompound:canonicalS...	CCN(CC)CC#CCOC(=O)[C@](O)(C1CCCCC1)c2ccccc2
chemicalCompound:molecularF...	C22H31NO3
chemicalCompound:moleculeId	818640
chemicalCompound:mwFreebase	357.486
chemicalCompound:alogp	4.646
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.946
chemicalCompound:acdLogP	5.049
chemicalCompound:acdLogD	4.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.486
chemicalCompound:acdMostBpk...	8.239
chemicalCompound:chemblId	CHEMBL1394756
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:918640
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:3675758, activity:4005884, activity:4006121, activity:4388172, activity:4583835, activity:4588940, activity:4803356, activity:4805547, activity:4853790, activity:4965820, activity:4969909, activity:4985505, activity:4989772, activity:5050739, activity:5058694, activity:5061346, activity:5061545, activity:5070298, activity:5861229, activity:5990997, activity:6002404, activity:6010938, activity:6044275, activity:6045117, activity:6053639, activity:6056757, activity:6059906, activity:6067203, activity:6068572, activity:6499988, activity:7161094, activity:7496793, activity:7499282