818540

Source:http://linkedlifedata.com/resource/chembl/compound/818540

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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/C21H22ClN3O4S2/c22-15-4-3-5-16(12-15)23-20(26)14-25-18-13-17(31(28,29)24-9-1-2-10-24)6-7-19(18)30-11-8-21(25)27/h3-7,12-13H,1-2,8-11,14H2,(H,23,26)
chemicalCompound:standardIn...	PUOYLJAFTCKDPG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(NC(=O)CN2C(=O)CCSc3ccc(cc23)S(=O)(=O)N4CCCC4)c1
chemicalCompound:molecularF...	C21H22ClN3O4S2
chemicalCompound:moleculeId	818540
chemicalCompound:mwFreebase	480
chemicalCompound:alogp	2.511
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	120.46
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.059
chemicalCompound:acdLogP	4.994
chemicalCompound:acdLogD	4.994
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	480
chemicalCompound:chemblId	CHEMBL1394656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:918540
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:3945798, activity:4722794, activity:7291841