551379

Source:http://linkedlifedata.com/resource/chembl/compound/551379

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:663022
chemicalCompound:standardIn...	InChI=1S/C18H28N4OS.ClH/c1-5-6-7-10-13-23-16-12-9-8-11-15(16)17-19-20-18(24-17)22(4)21-14(2)3;/h8-9,11-12,14,21H,5-7,10,13H2,1-4H3;1H
chemicalCompound:standardIn...	DYGOUTSVGBGEDU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCCCCOc1ccccc1c2nnc(s2)N(C)NC(C)C
chemicalCompound:molecularF...	C18H29ClN4OS
chemicalCompound:moleculeId	551379
chemicalCompound:mwFreebase	348.506
chemicalCompound:alogp	4.23
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	78.52
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.192
chemicalCompound:acdLogD	6.192
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.967
chemicalCompound:acdMostBpk...	3.463
chemicalCompound:chemblId	CHEMBL538010
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:651379
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:137815, activity:137816, activity:137817