885545

Source:http://linkedlifedata.com/resource/chembl/compound/885545

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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/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
chemicalCompound:standardIn...	RETLJHJSLJBNPL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl
chemicalCompound:molecularF...	C17H14Cl5N3O2S
chemicalCompound:moleculeId	885545
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...	9.544
chemicalCompound:acdLogP	5.764
chemicalCompound:acdLogD	5.757
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	501.642
chemicalCompound:acdMostBpk...	0.392
chemicalCompound:chemblId	CHEMBL1461661
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:985545
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:3621313, activity:3645842, activity:3758926, activity:3767208, activity:3869166, activity:3947676, activity:4019534, activity:4095175, activity:4136087, activity:4511024, activity:4551617, activity:4679439, activity:4933603, activity:4998697, activity:5330636, activity:5395765, activity:5409676, activity:5445090, activity:5508822, activity:5530679, activity:5538361, activity:5564087, activity:5571323, activity:5697033, activity:5778013, activity:5855524, activity:5860946, activity:5881647, activity:5973752, activity:6990879, activity:7129822, activity:7289345, activity:7336313, activity:7455089