774966

Source:http://linkedlifedata.com/resource/chembl/compound/774966

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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/C22H29N3O3/c1-15(2)14-25-11-10-23-22(27)19(25)12-21(26)24-13-18-17-7-5-4-6-16(17)8-9-20(18)28-3/h4-9,15,19H,10-14H2,1-3H3,(H,23,27)(H,24,26)
chemicalCompound:standardIn...	CWAHJAYQHOZAFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2ccccc2c1CNC(=O)CC3N(CC(C)C)CCNC3=O
chemicalCompound:molecularF...	C22H29N3O3
chemicalCompound:moleculeId	774966
chemicalCompound:mwFreebase	383.484
chemicalCompound:alogp	2.309
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	70.67
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.427
chemicalCompound:acdLogD	4.401
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.484
chemicalCompound:acdMostBpk...	7.133
chemicalCompound:chemblId	CHEMBL1351082
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:874966
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:4068608, activity:5714427, activity:6460057, activity:6683099, activity:6932800, activity:7078650, activity:7223636, activity:10620865