327602

Source:http://linkedlifedata.com/resource/chembl/compound/327602

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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/C22H27FN4O4/c1-15-3-5-18(30-15)13-25-7-9-26(10-8-25)21-6-4-17(11-20(21)23)27-14-19(31-22(27)29)12-24-16(2)28/h3-6,11,19H,7-10,12-14H2,1-2H3,(H,24,28)/t19-/m0/s1
chemicalCompound:standardIn...	TXPIMXFQZMHCGJ-IBGZPJMESA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(Cc4oc(C)cc4)CC3)c(F)c2
chemicalCompound:molecularF...	C22 H27 F N4 O4
chemicalCompound:moleculeId	327602
chemicalCompound:mwFreebase	430.473
chemicalCompound:alogp	2.074
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	78.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.222
chemicalCompound:acdLogD	1.136
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.473
chemicalCompound:acdMostBpk...	6.36
chemicalCompound:chemblId	CHEMBL196074
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:427602
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:1603849, activity:1603850, activity:1603851, activity:1603852, activity:1603853, activity:1603854