243235

Source:http://linkedlifedata.com/resource/chembl/compound/243235

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C20H26N2OS/c1-23-19-11-10-17(24-2)13-16(19)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1
chemicalCompound:standardIn...	ZNDUAKAGHPMVGL-ICSRJNTNSA-N
chemicalCompound:canonicalS...	COc1ccc(SC)cc1CN[C@H]2CCCN[C@H]2c3ccccc3
chemicalCompound:molecularF...	C20 H26 N2 O S
chemicalCompound:moleculeId	243235
chemicalCompound:mwFreebase	342.498
chemicalCompound:alogp	3.597
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	58.59
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.7
chemicalCompound:acdLogD	1.625
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	342.498
chemicalCompound:acdMostBpk...	9.144
chemicalCompound:chemblId	CHEMBL434884
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343235
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:744153, activity:744154, activity:744155, activity:744156