894496

Source:http://linkedlifedata.com/resource/chembl/compound/894496

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/C12H19N3S/c1-12(2)9-5-4-8(10(12)6-9)7-14-15-11(16)13-3/h4,7,9-10H,5-6H2,1-3H3,(H2,13,15,16)
chemicalCompound:standardIn...	HWMYIJGLRPXOQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN=C(S)NN=CC1=CCC2CC1C2(C)C
chemicalCompound:molecularF...	C12H19N3S
chemicalCompound:moleculeId	894496
chemicalCompound:mwFreebase	237.364
chemicalCompound:alogp	2.748
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.55
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.496
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	237.364
chemicalCompound:acdMostBpk...	13.68
chemicalCompound:chemblId	CHEMBL1470612
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:994496
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:4084509, activity:4117533, activity:4492502, activity:4532301, activity:4583282, activity:4980129, activity:5412747, activity:5742661, activity:6438396, activity:6718055, activity:7040169, activity:7098194, activity:7217664, activity:7315266