1091349

Source:http://linkedlifedata.com/resource/chembl/compound/1091349

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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/C17H14Cl5N3O2S/c18-11-6-7-13(12(19)8-11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
chemicalCompound:standardIn...	FHZZAIRIVDIBAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
chemicalCompound:molecularF...	C17H14Cl5N3O2S
chemicalCompound:moleculeId	1091349
chemicalCompound:mwFreebase	501.642
chemicalCompound:alogp	7.057
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	94.48
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.553
chemicalCompound:acdLogP	6.179
chemicalCompound:acdLogD	6.172
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	501.642
chemicalCompound:acdMostBpk...	0.396
chemicalCompound:chemblId	CHEMBL1710618
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1191349
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:5409688, activity:5508801, activity:5530668, activity:5538335, activity:5777982, activity:5855498, activity:5860124, activity:5881621, activity:5977668