207626

Source:http://linkedlifedata.com/resource/chembl/compound/207626

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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/C27H27N9O7S3/c1-27(2,24(41)42)43-34-17(14-9-31-25(30)46-14)20(37)33-18-21(38)36-19(23(39)40)12(10-44-22(18)36)11-45-26-32-15(28)8-16(29)35(26)13-6-4-3-5-7-13/h3-9,18,22H,10-11H2,1-2H3,(H8,28,29,30,31,33,34,37,39,40,41,42)/p+1
chemicalCompound:standardIn...	ZCITYOFDXRKYEC-UHFFFAOYSA-O
chemicalCompound:canonicalS...	CC(C)(O\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(N)cc(N)[n+]3c4ccccc4)\c5cnc(N)s5)C(=O)O
chemicalCompound:molecularF...	C27 H28 N9 O7 S3
chemicalCompound:moleculeId	207626
chemicalCompound:mwFreebase	686.762
chemicalCompound:alogp	1.268
chemicalCompound:hba	15
chemicalCompound:hbd	6
chemicalCompound:psa	332.16
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.366
chemicalCompound:acdLogP	-2.676
chemicalCompound:acdLogD	-3.101
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	686.762
chemicalCompound:acdMostBpk...	2.337
chemicalCompound:chemblId	CHEMBL330899
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307626
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:1152480, activity:1152481, activity:1152482, activity:1152483, activity:1152484, activity:1152485, activity:1152486, activity:1152487, activity:1152488, activity:1152489, activity:1152490, activity:1152491