86030

Source:http://linkedlifedata.com/resource/chembl/compound/86030

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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/C23H26N2O3S/c1-3-4-11-22-24-15-19(13-18(23(26)27)14-20-9-7-12-29-20)25(22)16-17-8-5-6-10-21(17)28-2/h5-10,12-13,15H,3-4,11,14,16H2,1-2H3,(H,26,27)/b18-13+
chemicalCompound:standardIn...	OHJRBSMXVYEVDG-QGOAFFKASA-N
chemicalCompound:canonicalS...	CCCCc1ncc(\C=C(/Cc2cccs2)\C(=O)O)n1Cc3ccccc3OC
chemicalCompound:molecularF...	C23 H26 N2 O3 S
chemicalCompound:moleculeId	86030
chemicalCompound:mwFreebase	410.529
chemicalCompound:alogp	5.186
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	92.59
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.676
chemicalCompound:acdLogP	3.742
chemicalCompound:acdLogD	1.222
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	410.529
chemicalCompound:acdMostBpk...	8.311
chemicalCompound:chemblId	CHEMBL57335
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:186030
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:351457, activity:351458, activity:351459