355303

Source:http://linkedlifedata.com/resource/chembl/compound/355303

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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/C25H28N4O5/c1-17(30)26-13-21-15-28(25(32)34-21)19-9-10-22-23(12-19)29(14-20-8-5-11-27(20)22)24(31)33-16-18-6-3-2-4-7-18/h2-4,6-7,9-10,12,20-21H,5,8,11,13-16H2,1H3,(H,26,30)/t20-,21-/m0/s1
chemicalCompound:standardIn...	WJMJOILZXKPMSQ-SFTDATJTSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc3N4CCC[C@H]4CN(C(=O)OCc5ccccc5)c3c2
chemicalCompound:molecularF...	C25 H28 N4 O5
chemicalCompound:moleculeId	355303
chemicalCompound:mwFreebase	464.514
chemicalCompound:alogp	2.862
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	91.42
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.385
chemicalCompound:acdLogD	-0.377
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.514
chemicalCompound:acdMostBpk...	8.184
chemicalCompound:chemblId	CHEMBL213624
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:455303
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:1753298, activity:1753299, activity:1753300, activity:1753301, activity:1753303, activity:1753305