295513

Source:http://linkedlifedata.com/resource/chembl/compound/295513

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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/C16H22N4O5/c1-11-8-20(16(23)18-15(11)22)13-3-2-12(25-13)10-24-14(21)9-19-6-4-17-5-7-19/h2-3,8,12-13,17H,4-7,9-10H2,1H3,(H,18,22,23)
chemicalCompound:standardIn...	SJCVWWVLVUFLQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CN(C2OC(COC(=O)CN3CCNCC3)C=C2)C(=O)NC1=O
chemicalCompound:molecularF...	C16 H22 N4 O5
chemicalCompound:moleculeId	295513
chemicalCompound:mwFreebase	350.37
chemicalCompound:alogp	-0.709
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	100.21
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.473
chemicalCompound:acdLogP	-0.748
chemicalCompound:acdLogD	-2.276
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	350.37
chemicalCompound:acdMostBpk...	8.924
chemicalCompound:chemblId	CHEMBL174698
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395513
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:31880, activity:31881, activity:31882, activity:31883, activity:31884