1122296

Source:http://linkedlifedata.com/resource/chembl/compound/1122296

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:271938
chemicalCompound:standardIn...	InChI=1S/C21H26N2S2.ClH/c1-3-13-24-21(25-14-4-2,16-23-12-11-22-17-23)20-10-9-18-7-5-6-8-19(18)15-20;/h5-12,15,17H,3-4,13-14,16H2,1-2H3;1H
chemicalCompound:standardIn...	XWYNEIQGFUUBDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCSC(Cn1ccnc1)(SCCC)c2ccc3ccccc3c2
chemicalCompound:molecularF...	C21H27ClN2S2
chemicalCompound:moleculeId	1122296
chemicalCompound:mwFreebase	370.575
chemicalCompound:alogp	5.565
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	68.42
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.144
chemicalCompound:acdLogD	5.071
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	407.035
chemicalCompound:acdMostBpk...	6.662
chemicalCompound:chemblId	CHEMBL1743725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222296
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:727062, activity:727063, activity:727064