159002

Source:http://linkedlifedata.com/resource/chembl/compound/159002

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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/C33H32FN9O11S2/c34-18-7-16-20(42(15-1-2-15)9-17(26(16)45)30(48)49)8-21(18)40-3-5-41(6-4-40)33(52)53-10-14-12-55-29-24(28(47)43(29)25(14)31(50)51)38-27(46)23(39-54-11-22(35)44)19-13-56-32(36)37-19/h7-9,13,15,24,29H,1-6,10-12H2,(H2,35,44)(H2,36,37)(H,38,46)(H,48,49)(H,50,51)/b39-23-/t24-,29-/m1/s1
chemicalCompound:standardIn...	OQOJEUFFKHUBCQ-MJZMRZDISA-N
chemicalCompound:canonicalS...	NC(=O)CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)\c7csc(N)n7
chemicalCompound:molecularF...	C33 H32 F N9 O11 S2
chemicalCompound:moleculeId	159002
chemicalCompound:mwFreebase	813.789
chemicalCompound:alogp	-0.202
chemicalCompound:hba	17
chemicalCompound:hbd	5
chemicalCompound:psa	334.22
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.632
chemicalCompound:acdLogP	1.507
chemicalCompound:acdLogD	-2.993
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	813.789
chemicalCompound:acdMostBpk...	1.538
chemicalCompound:chemblId	CHEMBL95490
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259002
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:271105, activity:271106, activity:271107, activity:271108, activity:271109, activity:271110, activity:271111, activity:271112, activity:271113, activity:271114, activity:271115, activity:271116, activity:271117, activity:271118, activity:271119, activity:271120, activity:271121, activity:271122, activity:271123, activity:271124, activity:271125, activity:271126, activity:271127, activity:271128, activity:271129