230872

Source:http://linkedlifedata.com/resource/chembl/compound/230872

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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/C18H21FN4O4/c1-27-17-14-11(13(21)12(19)15(17)22-5-4-8(20)6-22)16(24)10(18(25)26)7-23(14)9-2-3-9/h7-9H,2-6,20-21H2,1H3,(H,25,26)/t8-/m0/s1
chemicalCompound:standardIn...	LOXSBIALZBOYGQ-QMMMGPOBSA-N
chemicalCompound:canonicalS...	COc1c(N2CC[C@H](N)C2)c(F)c(N)c3C(=O)C(=CN(C4CC4)c13)C(=O)O
chemicalCompound:molecularF...	C18 H21 F N4 O4
chemicalCompound:moleculeId	230872
chemicalCompound:mwFreebase	376.382
chemicalCompound:alogp	-2.147
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	122.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.439
chemicalCompound:acdLogP	1.478
chemicalCompound:acdLogD	-0.691
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	376.382
chemicalCompound:acdMostBpk...	9.105
chemicalCompound:chemblId	CHEMBL138421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:330872
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:326603, activity:326604, activity:326605, activity:326606, activity:326607, activity:326608, activity:326609, activity:326610, activity:326611, activity:326612, activity:326613, activity:326614, activity:326615, activity:326616, activity:326617, activity:326618