629163

Source:http://linkedlifedata.com/resource/chembl/compound/629163

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/C11H8Cl2N4O2S/c12-6-1-2-8(7(13)3-6)19-4-9-14-15-11-17(9)16-10(18)5-20-11/h1-3H,4-5H2,(H,16,18)
chemicalCompound:standardIn...	MZNJKCQDAJTDAB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(OCc2nnc3SCC(=O)Nn23)c(Cl)c1
chemicalCompound:molecularF...	C11H8Cl2N4O2S
chemicalCompound:moleculeId	629163
chemicalCompound:mwFreebase	331.178
chemicalCompound:alogp	2.427
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	94.34
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.052
chemicalCompound:acdLogP	3.398
chemicalCompound:acdLogD	1.557
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	331.178
chemicalCompound:chemblId	CHEMBL1098023
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:729163
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:3277790