183454

Source:http://linkedlifedata.com/resource/chembl/compound/183454

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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/C28H37FN2O4/c1-4-6-16-30(17-7-5-2)25(32)19-31-18-24(20-8-12-22(29)13-9-20)26(28(33)34)27(31)21-10-14-23(35-3)15-11-21/h8-15,24,26-27H,4-7,16-19H2,1-3H3,(H,33,34)/t24-,26-,27+/m1/s1
chemicalCompound:standardIn...	RQWLRANAAJAQLD-IEUSDUHPSA-N
chemicalCompound:canonicalS...	CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c2ccc(OC)cc2)C(=O)O)c3ccc(F)cc3
chemicalCompound:molecularF...	C28 H37 F N2 O4
chemicalCompound:moleculeId	183454
chemicalCompound:mwFreebase	484.603
chemicalCompound:alogp	2.142
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	70.08
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.478
chemicalCompound:acdLogP	5.04
chemicalCompound:acdLogD	2.03
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	484.603
chemicalCompound:acdMostBpk...	6.852
chemicalCompound:chemblId	CHEMBL321852
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:283454
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:318543, activity:318544, activity:961581