225221

Source:http://linkedlifedata.com/resource/chembl/compound/225221

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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/C24H25N3O5S/c1-33(31,32)13-11-22(24(29)30)27-23(28)20-10-9-17(15-26-19-8-5-12-25-16-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14,16,22,26H,11,13,15H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1
chemicalCompound:standardIn...	HBGPOSRFPZSZCT-QFIPXVFZSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)CC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1c3ccccc3)C(=O)O
chemicalCompound:molecularF...	C24 H25 N3 O5 S
chemicalCompound:moleculeId	225221
chemicalCompound:mwFreebase	467.537
chemicalCompound:alogp	2.075
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	133.84
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.426
chemicalCompound:acdLogP	0.546
chemicalCompound:acdLogD	-2.954
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	467.537
chemicalCompound:acdMostBpk...	5.725
chemicalCompound:chemblId	CHEMBL335130
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:325221
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:216201, activity:216202