620087

Source:http://linkedlifedata.com/resource/chembl/compound/620087

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/C19H21N3OS2/c1-10-8-9-24-16(10)13-11-6-4-2-3-5-7-12(11)22-19-14(13)15(20)17(25-19)18(21)23/h8-9H,2-7,20H2,1H3,(H2,21,23)
chemicalCompound:standardIn...	JFWUTNVXUNPNJU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccsc1c2c3CCCCCCc3nc4sc(C(=O)N)c(N)c24
chemicalCompound:molecularF...	C19H21N3OS2
chemicalCompound:moleculeId	620087
chemicalCompound:mwFreebase	371.52
chemicalCompound:alogp	4.678
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	138.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.692
chemicalCompound:acdLogD	5.645
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.52
chemicalCompound:acdMostBpk...	6.715
chemicalCompound:chemblId	CHEMBL1091830
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:720087
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:3252497