577344

Source:http://linkedlifedata.com/resource/chembl/compound/577344

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/C13H15N5O2S2/c1-18-6-15-17-13(18)21-5-9(19)16-12-10(11(14)20)7-3-2-4-8(7)22-12/h6H,2-5H2,1H3,(H2,14,20)(H,16,19)
chemicalCompound:standardIn...	NRLUONFWDLIFKS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cnnc1SCC(=O)Nc2sc3CCCc3c2C(=O)N
chemicalCompound:molecularF...	C13H15N5O2S2
chemicalCompound:moleculeId	577344
chemicalCompound:mwFreebase	337.421
chemicalCompound:alogp	0.835
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	156.44
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.26
chemicalCompound:acdLogP	1.589
chemicalCompound:acdLogD	1.589
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.421
chemicalCompound:acdMostBpk...	1.375
chemicalCompound:chemblId	CHEMBL571296
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:677344
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:2994094, activity:2994161, activity:2994178, activity:3618023, activity:3698675, activity:3708751, activity:3746334, activity:3774654, activity:3933837, activity:3951165, activity:4064507, activity:4190275, activity:4315507, activity:4375975, activity:4417336, activity:4467799, activity:4570921, activity:4614573, activity:4675090, activity:4730215, activity:4764906, activity:4877625, activity:4880186, activity:4902641, activity:4945752, activity:5031653, activity:5366291, activity:5517306, activity:5711822, activity:5814890, activity:5959823, activity:6472097, activity:6633873, activity:6731910, activity:6809718, activity:6838784, activity:6869507, activity:6906423, activity:6963702, activity:7004582, activity:7052072, activity:7072862, activity:7198004