794681

Source:http://linkedlifedata.com/resource/chembl/compound/794681

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/C14H18ClN3OS/c1-3-17(4-2)7-8-18-13(19)11-9-10(15)5-6-12(11)16-14(18)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,20)
chemicalCompound:standardIn...	RQVWKVOCNDMZNH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCN1C(=S)Nc2ccc(Cl)cc2C1=O
chemicalCompound:molecularF...	C14H18ClN3OS
chemicalCompound:moleculeId	794681
chemicalCompound:mwFreebase	311.83
chemicalCompound:alogp	3.642
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	67.67
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.807
chemicalCompound:acdLogP	3.194
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	311.83
chemicalCompound:acdMostBpk...	9.703
chemicalCompound:chemblId	CHEMBL1370797
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:894681
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:3912266, activity:4099593, activity:4163405, activity:4553791, activity:4771055, activity:5544198, activity:5755857, activity:6870388, activity:7105495, activity:7250342