575785

Source:http://linkedlifedata.com/resource/chembl/compound/575785

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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/C24H24FN3O5/c1-3-26-14-18(24(31)32)23(30)17-12-19(25)21(13-20(17)26)27-8-10-28(11-9-27)22(29)7-6-16-5-4-15(2)33-16/h4-7,12-14H,3,8-11H2,1-2H3,(H,31,32)/b7-6+
chemicalCompound:standardIn...	RPIHCHKCHPDNCP-VOTSOKGWSA-N
chemicalCompound:canonicalS...	CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)\C=C\c4oc(C)cc4
chemicalCompound:molecularF...	C24H24FN3O5
chemicalCompound:moleculeId	575785
chemicalCompound:mwFreebase	453.463
chemicalCompound:alogp	2.762
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	94.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.481
chemicalCompound:acdLogP	4.266
chemicalCompound:acdLogD	2.331
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	453.463
chemicalCompound:acdMostBpk...	0.819
chemicalCompound:chemblId	CHEMBL577698
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:675785
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:2999120, activity:2999150, activity:2999180, activity:2999210, activity:2999240, activity:2999270, activity:2999300, activity:2999324