35946

Source:http://linkedlifedata.com/resource/chembl/compound/35946

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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/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
chemicalCompound:standardIn...	RFYZESCOUUACOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(OCC(=O)N)cc3
chemicalCompound:molecularF...	C19 H23 N5 O4
chemicalCompound:moleculeId	35946
chemicalCompound:mwFreebase	385.417
chemicalCompound:alogp	1.924
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	121.62
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.32
chemicalCompound:acdLogP	2.903
chemicalCompound:acdLogD	2.841
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.417
chemicalCompound:acdMostBpk...	1.4
chemicalCompound:chemblId	CHEMBL27043
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:135946
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:65010, activity:65011, activity:65012, activity:1114001, activity:1114002, activity:1114003, activity:1114004