598587

Source:http://linkedlifedata.com/resource/chembl/compound/598587

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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/C23H28FN5O3/c1-14-15(2)20(30)27-26-19(14)13-16-4-5-18(24)17(12-16)21(31)28-8-10-29(11-9-28)22(32)23(3)6-7-25-23/h4-5,12,25H,6-11,13H2,1-3H3,(H,27,30)/t23-/m1/s1
chemicalCompound:standardIn...	DSDZABPPHWDVRD-HSZRJFAPSA-N
chemicalCompound:canonicalS...	CC1=C(C)C(=NNC1=O)Cc2ccc(F)c(c2)C(=O)N3CCN(CC3)C(=O)[C@@]4(C)CCN4
chemicalCompound:molecularF...	C23H28FN5O3
chemicalCompound:moleculeId	598587
chemicalCompound:mwFreebase	441.499
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	94.1
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.322
chemicalCompound:acdLogP	1.446
chemicalCompound:acdLogD	-1.089
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	441.499
chemicalCompound:acdMostBpk...	9.983
chemicalCompound:chemblId	CHEMBL591589
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698587
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:3094947, activity:3094980, activity:3096099, activity:3096123, activity:3096125, activity:3096126, activity:3096141