628907

Source:http://linkedlifedata.com/resource/chembl/compound/628907

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/C9H8Cl2N4OS/c10-5-1-2-7(6(11)3-5)16-4-8-13-14-9(17)15(8)12/h1-3H,4,12H2,(H,14,17)
chemicalCompound:standardIn...	QESGKBGZPADFHW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nn1c(S)nnc1COc2ccc(Cl)cc2Cl
chemicalCompound:molecularF...	C9H8Cl2N4OS
chemicalCompound:moleculeId	628907
chemicalCompound:mwFreebase	291.157
chemicalCompound:alogp	2.692
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	104.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.866
chemicalCompound:acdLogD	0.734
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.157
chemicalCompound:acdMostBpk...	6.601
chemicalCompound:chemblId	CHEMBL1095997
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:728907
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:3277776, activity:3277798, activity:3277801, activity:3277810, activity:3277819, activity:3278177