199711

Source:http://linkedlifedata.com/resource/chembl/compound/199711

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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:199711_BMS-379224_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1
chemicalCompound:standardIn...	SYTNEMZCCLUTNX-NPMXOYFQSA-N
chemicalCompound:canonicalS...	C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@@](Cn3cncn3)(OCOP(=O)(O)O)c4ccc(F)cc4F
chemicalCompound:molecularF...	C23 H20 F2 N5 O5 P S
chemicalCompound:moleculeId	199711
chemicalCompound:mwFreebase	547.471
chemicalCompound:alogp	3.684
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	181.42
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.638
chemicalCompound:acdLogP	1.573
chemicalCompound:acdLogD	-2.766
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	547.471
chemicalCompound:acdMostBpk...	2.536
chemicalCompound:chemblId	CHEMBL333325
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299711
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:525245