455596

Source:http://linkedlifedata.com/resource/chembl/compound/455596

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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:455596_BMS-777607_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
chemicalCompound:standardIn...	VNBRGSXVFBYQNN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)C(=O)N(C=C1)c4ccc(F)cc4
chemicalCompound:molecularF...	C25H19ClF2N4O4
chemicalCompound:moleculeId	455596
chemicalCompound:mwFreebase	512.893
chemicalCompound:alogp	3.517
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	106.78
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.538
chemicalCompound:acdLogP	2.49
chemicalCompound:acdLogD	2.489
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	512.893
chemicalCompound:acdMostBpk...	3.973
chemicalCompound:chemblId	CHEMBL460702
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:555596
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:2393682, activity:2393694, activity:2393704, activity:2393705, activity:2393706, activity:2393707, activity:2393708, activity:2393709, activity:2393710, activity:2393711, activity:2393712, activity:2395403, activity:2395404, activity:2395405, activity:2395406, activity:2395407, activity:2395408, activity:2395409, activity:2395410, activity:2395411, activity:2395412, activity:2395413, activity:2395414, activity:2395415, activity:2395416, activity:2395417, activity:2395418, activity:2395419, activity:2395420, activity:2395421, activity:2395422, activity:2395423, activity:2395424, activity:2395425, activity:2395426, activity:2395427, activity:2395428, activity:2395429, activity:2395430, activity:2395431, activity:2395432, activity:2395433, activity:2395434, activity:2395435, activity:2395436, activity:2395437, activity:2395438, activity:2395439, activity:2395440, activity:2395441, activity:2395442, activity:2395443, activity:2395444, activity:2395445, activity:2395446, activity:2395447, activity:2395448, activity:2395449, activity:2395450, activity:2395451, activity:2395452, activity:2395453, activity:2395454, activity:2395455, activity:2395456