677740

Source:http://linkedlifedata.com/resource/chembl/compound/677740

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:273846
chemicalCompound:standardIn...	InChI=1S/C18H29N3O3S.ClH/c1-4-21(5-2)17-12-10-15(11-13-17)19-18(22)14-6-8-16(9-7-14)20-25(3,23)24;/h6-9,15,17,20H,4-5,10-13H2,1-3H3,(H,19,22);1H
chemicalCompound:standardIn...	SBAPYRKGIPFRES-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN(CC)C1CCC(CC1)NC(=O)c2ccc(NS(=O)(=O)C)cc2
chemicalCompound:molecularF...	C18H30ClN3O3S
chemicalCompound:moleculeId	677740
chemicalCompound:mwFreebase	367.506
chemicalCompound:alogp	1.946
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	86.89
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.5
chemicalCompound:acdLogP	2.307
chemicalCompound:acdLogD	-0.234
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	403.967
chemicalCompound:acdMostBpk...	10.376
chemicalCompound:chemblId	CHEMBL1203789
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:777740
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:146032, activity:146033, activity:146034, activity:146035, activity:165403, activity:165404, activity:165405, activity:165406, activity:178997, activity:178998, activity:178999, activity:179000