737907

Source:http://linkedlifedata.com/resource/chembl/compound/737907

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/C17H22N4OS/c1-20(2)14-5-3-4-13(10-14)15-11-23-17(19-15)21-8-6-12(7-9-21)16(18)22/h3-5,10-12H,6-9H2,1-2H3,(H2,18,22)
chemicalCompound:standardIn...	WELAEQDJIHDLOB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1cccc(c1)c2csc(n2)N3CCC(CC3)C(=O)N
chemicalCompound:molecularF...	C17H22N4OS
chemicalCompound:moleculeId	737907
chemicalCompound:mwFreebase	330.448
chemicalCompound:alogp	1.952
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	90.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2
chemicalCompound:acdLogD	1.975
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.448
chemicalCompound:acdMostBpk...	6.079
chemicalCompound:chemblId	CHEMBL1314023
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:837907
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:4299821, activity:4733481, activity:5024571, activity:5562752, activity:5650956, activity:5661565, activity:6353522, activity:6353652