1102841

Source:http://linkedlifedata.com/resource/chembl/compound/1102841

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/C18H22N6O2S2/c1-3-24-14(10-15(25)20-13-7-5-4-6-12(13)2)22-23-18(24)28-11-16(26)21-17-19-8-9-27-17/h4-7H,3,8-11H2,1-2H3,(H,20,25)(H,19,21,26)
chemicalCompound:standardIn...	ZJXWTFFSMBVQHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)NC3=NCCS3
chemicalCompound:molecularF...	C18H22N6O2S2
chemicalCompound:moleculeId	1102841
chemicalCompound:mwFreebase	418.536
chemicalCompound:alogp	2.668
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	151.87
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.962
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.002
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.536
chemicalCompound:acdMostBpk...	4.539
chemicalCompound:chemblId	CHEMBL1722110
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1202841
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:5464775, activity:6742599, activity:7068261, activity:7363752, activity:7488699