1295252

Source:http://linkedlifedata.com/resource/chembl/compound/1295252

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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/C27H27F2N5O2/c1-33-7-9-34(10-8-33)21-4-5-22(25(16-21)36-2)27(35)30-26-23-14-17(3-6-24(23)31-32-26)11-18-12-19(28)15-20(29)13-18/h3-6,12-16H,7-11H2,1-2H3,(H2,30,31,32,35)
chemicalCompound:standardIn...	DSSRVQAIWBZWON-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N5CCN(C)CC5
chemicalCompound:molecularF...	C27H27F2N5O2
chemicalCompound:moleculeId	1295252
chemicalCompound:mwFreebase	491.532
chemicalCompound:alogp	5.286
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	73.48
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.104
chemicalCompound:acdLogP	4.39
chemicalCompound:acdLogD	4.063
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.532
chemicalCompound:acdMostBpk...	7.685
chemicalCompound:chemblId	CHEMBL1973961
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1395252
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:9507488, activity:9511326, activity:9511834, activity:9512066, activity:9512278, activity:9512561, activity:9515156, activity:9519811, activity:9523734, activity:9524753, activity:9527698, activity:9528239, activity:9531987, activity:9532238, activity:9537180, activity:9541074, activity:9548305, activity:9548482, activity:9552727, activity:9556677, activity:9556999, activity:9560491, activity:9569199, activity:9569274, activity:9572560, activity:9572742, activity:9573299, activity:9573679, activity:9574296, activity:9574369, activity:9575638, activity:9576914, activity:9578771, activity:9582403, activity:9584222, activity:9584811, activity:9585157, activity:9585787, activity:9585941, activity:9586957, activity:9587191, activity:9588119, activity:9590204, activity:9591225, activity:9594279, activity:9594755, activity:9595321, activity:9596119, activity:9596608, activity:9596872, activity:9600240, activity:9600747, activity:9600985, activity:9602031, activity:9603160, activity:9603528, activity:9605365, activity:9606231, activity:9609507, activity:9610521, activity:9612413, activity:9615075, activity:9615843, activity:9616583, activity:9619933, activity:9621780