523593

Source:http://linkedlifedata.com/resource/chembl/compound/523593

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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/C31H26BrF2NO3/c1-38-27-16-2-20(3-17-27)29-28(30(36)35(29)26-14-8-23(32)9-15-26)18-19-31(37,21-4-10-24(33)11-5-21)22-6-12-25(34)13-7-22/h2-17,28-29,37H,18-19H2,1H3/t28-,29-/m1/s1
chemicalCompound:standardIn...	SMAMMKMINKRSOZ-FQLXRVMXSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@H]2[C@@H](CCC(O)(c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N2c5ccc(Br)cc5
chemicalCompound:molecularF...	C31H26BrF2NO3
chemicalCompound:moleculeId	523593
chemicalCompound:mwFreebase	578.444
chemicalCompound:alogp	7.046
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.269
chemicalCompound:acdLogP	6.693
chemicalCompound:acdLogD	6.693
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	578.444
chemicalCompound:chemblId	CHEMBL487545
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:623593
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:2290458, activity:2290459