607062

Source:http://linkedlifedata.com/resource/chembl/compound/607062

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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/C20H21Cl2N5O4S/c21-11-2-1-3-12(22)17(11)32-7-13-15(28)16(29)20(31-13)27-9-25-14-18(23-8-24-19(14)27)26-10-4-5-30-6-10/h1-3,8-10,13,15-16,20,28-29H,4-7H2,(H,23,24,26)/t10?,13-,15-,16-,20?/m1/s1
chemicalCompound:standardIn...	SAWJMCIHYCLBTD-RWBQGSSBSA-N
chemicalCompound:canonicalS...	O[C@@H]1[C@@H](CSc2c(Cl)cccc2Cl)OC([C@@H]1O)n3cnc4c(NC5CCOC5)ncnc34
chemicalCompound:molecularF...	C20H21Cl2N5O4S
chemicalCompound:moleculeId	607062
chemicalCompound:mwFreebase	498.383
chemicalCompound:alogp	2.512
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	139.85
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.084
chemicalCompound:acdLogP	2.659
chemicalCompound:acdLogD	2.659
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.383
chemicalCompound:acdMostBpk...	3.061
chemicalCompound:chemblId	CHEMBL609538
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707062
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:31899, activity:31900, activity:31901