207208

Source:http://linkedlifedata.com/resource/chembl/compound/207208

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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/C28H28N8O7S3/c1-28(2,25(41)42)43-34-18(16-10-31-26(30)46-16)21(37)33-19-22(38)36-20(24(39)40)14(11-44-23(19)36)12-45-27-32-17(29)9-15(35(27)3)13-7-5-4-6-8-13/h4-10,19,23,29H,11-12H2,1-3H3,(H5,30,31,33,34,37,39,40,41,42)/p+1
chemicalCompound:standardIn...	HWKFEMVGLNGHOJ-UHFFFAOYSA-O
chemicalCompound:canonicalS...	C[n+]1c(SCC2=C(N3C(SC2)C(NC(=O)\C(=N/OC(C)(C)C(=O)O)\c4cnc(N)s4)C3=O)C(=O)O)nc(N)cc1c5ccccc5
chemicalCompound:molecularF...	C28 H29 N8 O7 S3
chemicalCompound:moleculeId	207208
chemicalCompound:mwFreebase	685.774
chemicalCompound:alogp	2.124
chemicalCompound:hba	14
chemicalCompound:hbd	5
chemicalCompound:psa	306.14
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.382
chemicalCompound:acdLogP	-1.367
chemicalCompound:acdLogD	-1.792
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	685.774
chemicalCompound:acdMostBpk...	2.337
chemicalCompound:chemblId	CHEMBL338167
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307208
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:1143591, activity:1143592, activity:1143593, activity:1143594, activity:1143595, activity:1143596, activity:1143597, activity:1143598, activity:1143599, activity:1143600, activity:1143601, activity:1143602