436277

Source:http://linkedlifedata.com/resource/chembl/compound/436277

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:436277_MK-0457_RESEARCH_CODE, synonym:436277_MK-045_RESEARCH_CODE, synonym:436277_VX-680_RESEARCH_CODE, synonym:436277_VX-68_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
chemicalCompound:standardIn...	GCIKSSRWRFVXBI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2cc(Nc3cc(C)n[nH]3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2
chemicalCompound:molecularF...	C23H28N8OS
chemicalCompound:moleculeId	436277
chemicalCompound:mwFreebase	464.586
chemicalCompound:alogp	3.547
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	127.37
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.264
chemicalCompound:acdLogD	1.077
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.586
chemicalCompound:acdMostBpk...	7.108
chemicalCompound:chemblId	CHEMBL572878
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:536277
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TOZASERTIB
chemicalCompound:activity	activity:1790088, activity:1790089, activity:1790090, activity:1790091, activity:2104572, activity:2104573, activity:2104574, activity:2206565, activity:2206573, activity:2206849, activity:2206850, activity:2206910, activity:2206911, activity:2208269, activity:2208271, activity:2208272, activity:2208273, activity:2208274, activity:2208275, activity:2208276, activity:2208277, activity:2208278, activity:2208279, activity:2208280, activity:2208281, activity:2208282, activity:2208283, activity:2208284, activity:2208285, activity:2208286, activity:2208287, activity:2208288, activity:2208289, activity:2208290, activity:2208291, activity:2208292, activity:2208293, activity:2208294, activity:2208295, activity:2208296, activity:2208297, activity:2208298, activity:2208299, activity:2208300, activity:2208301, activity:2208302, activity:2208303, activity:2208304, activity:2208306, activity:2208307, activity:2208308, activity:2208309, activity:2208310, activity:2208311, activity:2208312, activity:2208313, activity:2208314, activity:2208315, activity:2208316, activity:2208317, activity:2208318, activity:2208319