842620

Source:http://linkedlifedata.com/resource/chembl/compound/842620

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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/C23H25N5O4S/c1-30-11-10-28-22(17-13-24-18-7-5-4-6-16(17)18)26-27-23(28)33-14-21(29)25-15-8-9-19(31-2)20(12-15)32-3/h4-9,12-13,24H,10-11,14H2,1-3H3,(H,25,29)
chemicalCompound:standardIn...	AXBGIJQMTURDSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1c3c[nH]c4ccccc34
chemicalCompound:molecularF...	C23H25N5O4S
chemicalCompound:moleculeId	842620
chemicalCompound:mwFreebase	467.541
chemicalCompound:alogp	3.174
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	128.59
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.929
chemicalCompound:acdLogP	3.266
chemicalCompound:acdLogD	3.266
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.541
chemicalCompound:acdMostBpk...	1.236
chemicalCompound:chemblId	CHEMBL1418736
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942620
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:4009162, activity:4734246, activity:4813473, activity:7161765