355433

Source:http://linkedlifedata.com/resource/chembl/compound/355433

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/C17H21FN4O2S2/c1-19-16(25)20-7-12-8-22(17(23)24-12)11-5-13(18)15-14(6-11)26-9-10-3-2-4-21(10)15/h5-6,10,12H,2-4,7-9H2,1H3,(H2,19,20,25)/t10-,12-/m0/s1
chemicalCompound:standardIn...	SEYRQYUYMOFHFD-JQWIXIFHSA-N
chemicalCompound:canonicalS...	CNC(=S)NC[C@H]1CN(C(=O)O1)c2cc(F)c3N4CCC[C@H]4CSc3c2
chemicalCompound:molecularF...	C17 H21 F N4 O2 S2
chemicalCompound:moleculeId	355433
chemicalCompound:mwFreebase	396.503
chemicalCompound:alogp	3.34
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	114.23
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.302
chemicalCompound:acdLogD	0.007
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	396.503
chemicalCompound:acdMostBpk...	7.358
chemicalCompound:chemblId	CHEMBL215796
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:455433
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:1753194, activity:1753203, activity:1753212, activity:1753219, activity:1753232, activity:1753241