1066408

Source:http://linkedlifedata.com/resource/chembl/compound/1066408

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1118356
chemicalCompound:standardIn...	InChI=1S/C21H38N4O2.ClH/c1-15(2)18-11-10-16(3)13-19(18)27-21(26)23-12-8-6-4-5-7-9-17-14-24-20(22)25-17;/h14-16,18-19H,4-13H2,1-3H3,(H,23,26)(H3,22,24,25);1H/t16-,18+,19-;/m1./s1
chemicalCompound:standardIn...	VBTJHBWNRWXDGT-DIWPWVMZSA-N
chemicalCompound:canonicalS...	Cl.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCCCCCCc2c[nH]c(N)n2
chemicalCompound:molecularF...	C21H39ClN4O2
chemicalCompound:moleculeId	1066408
chemicalCompound:mwFreebase	378.552
chemicalCompound:alogp	5.029
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	93.02
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.704
chemicalCompound:acdLogP	5.615
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	415.013
chemicalCompound:acdMostBpk...	9.008
chemicalCompound:chemblId	CHEMBL1667931
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1166408
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:5196944, activity:5196952, activity:5196961, activity:5196970, activity:5196979, activity:5196988, activity:5196994, activity:5196997, activity:5197000, activity:5197006