1166651

Source:http://linkedlifedata.com/resource/chembl/compound/1166651

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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/C29H31FN4O5/c1-4-37-28(36)27(35)34(16-19-6-5-7-21(30)14-19)22-10-13-25-24(15-22)33(3)17-29(2,39-25)18-38-23-11-8-20(9-12-23)26(31)32/h5-15H,4,16-18H2,1-3H3,(H3,31,32)
chemicalCompound:standardIn...	KMEOYPGTFKFRIU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C(=O)N(Cc1cccc(F)c1)c2ccc3OC(C)(COc4ccc(cc4)C(=N)N)CN(C)c3c2
chemicalCompound:molecularF...	C29H31FN4O5
chemicalCompound:moleculeId	1166651
chemicalCompound:mwFreebase	534.579
chemicalCompound:alogp	4.182
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	118.17
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.931
chemicalCompound:acdLogD	1.932
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	534.579
chemicalCompound:acdMostBpk...	12.047
chemicalCompound:chemblId	CHEMBL1808951
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1266651
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:6291656, activity:6291668, activity:6291681, activity:6292291, activity:6292304, activity:6292317, activity:6292330, activity:8040608, activity:8040647, activity:8040685, activity:8040723, activity:8040762