185

Source:http://linkedlifedata.com/resource/chembl/compound/185

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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/C36H52N4O3/c1-28-38-20-22-40(28)21-6-5-10-30-12-14-31(15-13-30)26-36(42)39-34(27-41)25-32-16-17-35(33(24-32)11-7-19-37)43-23-18-29-8-3-2-4-9-29/h12-17,20,22,24,29,34,41H,2-11,18-19,21,23,25-27,37H2,1H3,(H,39,42)/t34-/m1/s1
chemicalCompound:standardIn...	YNCAROCYIGDSNF-UUWRZZSWSA-N
chemicalCompound:canonicalS...	Cc1nccn1CCCCc2ccc(CC(=O)N[C@@H](CO)Cc3ccc(OCCC4CCCCC4)c(CCCN)c3)cc2
chemicalCompound:molecularF...	C36 H52 N4 O3
chemicalCompound:moleculeId	185
chemicalCompound:mwFreebase	588.823
chemicalCompound:alogp	6.082
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	102.4
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.677
chemicalCompound:acdLogD	2.474
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	588.823
chemicalCompound:acdMostBpk...	10.303
chemicalCompound:chemblId	CHEMBL6242
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100185
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:652966, activity:652967, activity:652968, activity:652969