2106

Source:http://linkedlifedata.com/resource/chembl/compound/2106

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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/C24H26N4O3S2/c1-28(19-9-4-5-10-19)23(29)22(12-6-11-20-16-26-24(25)32-20)27-33(30,31)21-14-13-17-7-2-3-8-18(17)15-21/h2-3,7-8,13-16,19,22,27H,4-5,9-10,12H2,1H3,(H2,25,26)/t22-/m0/s1
chemicalCompound:standardIn...	FHDPGCHIEMTPRR-QFIPXVFZSA-N
chemicalCompound:canonicalS...	CN(C1CCCC1)C(=O)[C@H](CC#Cc2cnc(N)s2)NS(=O)(=O)c3ccc4ccccc4c3
chemicalCompound:molecularF...	C24 H26 N4 O3 S2
chemicalCompound:moleculeId	2106
chemicalCompound:mwFreebase	482.618
chemicalCompound:alogp	3.489
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	142.01
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.658
chemicalCompound:acdLogP	1.05
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	482.618
chemicalCompound:acdMostBpk...	3.793
chemicalCompound:chemblId	CHEMBL269020
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102106
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:742453