1066409

Source:http://linkedlifedata.com/resource/chembl/compound/1066409

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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:1118357
chemicalCompound:standardIn...	InChI=1S/C23H39N7O2.ClH/c1-16(2)20-10-9-17(3)13-21(20)32-23(31)25-11-12-30-15-19(28-29-30)8-6-4-5-7-18-14-26-22(24)27-18;/h14-17,20-21H,4-13H2,1-3H3,(H,25,31)(H3,24,26,27);1H/t17-,20+,21-;/m1./s1
chemicalCompound:standardIn...	JEKOQMJNSRLMIE-NIFMGCQOSA-N
chemicalCompound:canonicalS...	Cl.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCCn2cc(CCCCCc3c[nH]c(N)n3)nn2
chemicalCompound:molecularF...	C23H40ClN7O2
chemicalCompound:moleculeId	1066409
chemicalCompound:mwFreebase	445.601
chemicalCompound:alogp	4.481
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	123.74
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.897
chemicalCompound:acdLogP	4.841
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	482.062
chemicalCompound:acdMostBpk...	8.984
chemicalCompound:chemblId	CHEMBL1667932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1166409
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:5196929, activity:5196937, activity:5196945, activity:5196953, activity:5196962, activity:5196971, activity:5196980, activity:5196989, activity:5197007