1122295

Source:http://linkedlifedata.com/resource/chembl/compound/1122295

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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:271937
chemicalCompound:standardIn...	InChI=1S/C21H26N2S2.ClH/c1-16(2)24-21(25-17(3)4,14-23-12-11-22-15-23)20-10-9-18-7-5-6-8-19(18)13-20;/h5-13,15-17H,14H2,1-4H3;1H
chemicalCompound:standardIn...	LQHIECJCYAOIQK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)SC(Cn1ccnc1)(SC(C)C)c2ccc3ccccc3c2
chemicalCompound:molecularF...	C21H27ClN2S2
chemicalCompound:moleculeId	1122295
chemicalCompound:mwFreebase	370.575
chemicalCompound:alogp	5.273
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	68.42
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.832
chemicalCompound:acdLogD	4.756
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	407.035
chemicalCompound:acdMostBpk...	6.687
chemicalCompound:chemblId	CHEMBL1743724
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222295
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:748539, activity:748540, activity:748541