124129

Source:http://linkedlifedata.com/resource/chembl/compound/124129

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/C16H21N3S/c1-19-10-5-4-8-16(19)17-9-11-20-15-12-18-14-7-3-2-6-13(14)15/h2-3,6-7,12,18H,4-5,8-11H2,1H3/b17-16+
chemicalCompound:standardIn...	TVKIRHQKMIOXKV-WUKNDPDISA-N
chemicalCompound:canonicalS...	CN1CCCC/C/1=N\CCSc2c[nH]c3ccccc23
chemicalCompound:molecularF...	C16 H21 N3 S
chemicalCompound:moleculeId	124129
chemicalCompound:mwFreebase	287.423
chemicalCompound:alogp	3.035
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	56.69
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.071
chemicalCompound:acdLogD	2.072
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	287.423
chemicalCompound:acdMostBpk...	12.008
chemicalCompound:chemblId	CHEMBL309398
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224129
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:107482, activity:107483, activity:107484, activity:107485, activity:107486, activity:107487