220476

Source:http://linkedlifedata.com/resource/chembl/compound/220476

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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/C18H26N4O5/c1-14(23)20-19-12-17-13-22(18(24)27-17)15-2-4-16(5-3-15)26-11-8-21-6-9-25-10-7-21/h2-5,17,19H,6-13H2,1H3,(H,20,23)/t17-/m0/s1
chemicalCompound:standardIn...	DRCORNWEOKCFHU-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC(=O)NNC[C@H]1CN(C(=O)O1)c2ccc(OCCN3CCOCC3)cc2
chemicalCompound:molecularF...	C18 H26 N4 O5
chemicalCompound:moleculeId	220476
chemicalCompound:mwFreebase	378.423
chemicalCompound:alogp	0.157
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	92.37
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.057
chemicalCompound:acdLogP	-0.33
chemicalCompound:acdLogD	-0.377
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	378.423
chemicalCompound:acdMostBpk...	6.478
chemicalCompound:chemblId	CHEMBL134940
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320476
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:772266, activity:772267, activity:772268, activity:772269, activity:772270, activity:772271