12987

Source:http://linkedlifedata.com/resource/chembl/compound/12987

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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/C23H27FN4O2/c1-13-20(11-18-17-10-16(24)4-5-19(17)27-22(18)29)26-14(2)21(13)23(30)25-12-15-6-8-28(3)9-7-15/h4-5,10-11,15,26H,6-9,12H2,1-3H3,(H,25,30)(H,27,29)/b18-11-
chemicalCompound:standardIn...	QILQUYGQJMWOFT-WQRHYEAKSA-N
chemicalCompound:canonicalS...	CN1CCC(CNC(=O)c2c(C)[nH]c(\C=C\3/C(=O)Nc4ccc(F)cc34)c2C)CC1
chemicalCompound:molecularF...	C23 H27 F N4 O2
chemicalCompound:moleculeId	12987
chemicalCompound:mwFreebase	410.484
chemicalCompound:alogp	2.85
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	77.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.702
chemicalCompound:acdLogP	1.606
chemicalCompound:acdLogD	-0.161
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	410.484
chemicalCompound:acdMostBpk...	9.188
chemicalCompound:chemblId	CHEMBL13983
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:112987
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:740163, activity:740164, activity:740165, activity:740166, activity:740167, activity:740168, activity:740169, activity:740170, activity:740171, activity:740172