310592

Source:http://linkedlifedata.com/resource/chembl/compound/310592

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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/C27H29N7O7S/c28-9-8-20(27(38)34-12-10-29-11-13-34)31-24(35)23-7-6-22(41-23)16-2-1-3-17(14-16)33-42(39,40)18-4-5-19-21(15-18)32-26(37)25(36)30-19/h1-7,14-15,20,29,33H,8-13,28H2,(H,30,36)(H,31,35)(H,32,37)/t20-/m1/s1
chemicalCompound:standardIn...	HEELIUKGQJTCLG-HXUWFJFHSA-N
chemicalCompound:canonicalS...	NCC[C@@H](NC(=O)c1oc(cc1)c2cccc(NS(=O)(=O)c3ccc4nc(O)c(O)nc4c3)c2)C(=O)N5CCNCC5
chemicalCompound:molecularF...	C27 H29 N7 O7 S
chemicalCompound:moleculeId	310592
chemicalCompound:mwFreebase	595.627
chemicalCompound:alogp	0.845
chemicalCompound:hba	10
chemicalCompound:hbd	6
chemicalCompound:psa	221.38
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.92
chemicalCompound:acdLogP	1.415
chemicalCompound:acdLogD	-1.164
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	595.627
chemicalCompound:acdMostBpk...	9.157
chemicalCompound:chemblId	CHEMBL364605
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410592
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:1453291, activity:1453292, activity:1453293