349994

Source:http://linkedlifedata.com/resource/chembl/compound/349994

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H22ClN3O6S/c1-5-28-18-17(19)11(20)8-15(22-18)21-16(23)7-10-6-13(27-3)14(29(4,24)25)9-12(10)26-2/h6,8-9H,5,7H2,1-4H3,(H3,20,21,22,23)
chemicalCompound:standardIn...	JUKUQWGWZSESAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(=O)(=O)C)cc(N)c1Cl
chemicalCompound:molecularF...	C18 H22 Cl N3 O6 S
chemicalCompound:moleculeId	349994
chemicalCompound:mwFreebase	443.902
chemicalCompound:alogp	2.32
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	138.22
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.036
chemicalCompound:acdLogP	2.943
chemicalCompound:acdLogD	2.943
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	443.902
chemicalCompound:acdMostBpk...	2.915
chemicalCompound:chemblId	CHEMBL210928
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:449994
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:1722652, activity:1722760, activity:1722818, activity:1722862, activity:1722897, activity:1722937, activity:1722944, activity:1722953, activity:1722957, activity:1722962, activity:1722967, activity:1722973, activity:1722996, activity:1723072, activity:1723086, activity:1723092, activity:1723098, activity:1723105, activity:1723111, activity:1723150, activity:1723156, activity:1723162, activity:1723164, activity:1723170, activity:1723178, activity:1723185, activity:1723201, activity:1723207, activity:1723213, activity:1723218, activity:1723226, activity:1723236, activity:1723246, activity:1723251, activity:1723262, activity:1723279, activity:1723303, activity:1723308, activity:1723333, activity:1723339, activity:1723347, activity:1723358, activity:1723393, activity:1723398, activity:1723403, activity:1723408, activity:1723413, activity:1723418, activity:1723423, activity:1723428, activity:1723435, activity:1723437, activity:1723445, activity:1723450, activity:1723455, activity:1723466, activity:1723476, activity:1723483, activity:1723496, activity:1723500, activity:1723504, activity:1723549, activity:1723553, activity:1723558, activity:1723563, activity:1723568