243730

Source:http://linkedlifedata.com/resource/chembl/compound/243730

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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/C26H39N3O2S/c1-25(2,3)20-12-19(13-21(15-20)26(4,5)6)17-29-24(32)28-16-18-8-9-22(31-11-10-27)23(14-18)30-7/h8-9,12-15H,10-11,16-17,27H2,1-7H3,(H2,28,29,32)
chemicalCompound:standardIn...	KOFPJTQIUOVOFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C\N=C(/S)\NCc2cc(cc(c2)C(C)(C)C)C(C)(C)C)ccc1OCCN
chemicalCompound:molecularF...	C26 H39 N3 O2 S
chemicalCompound:moleculeId	243730
chemicalCompound:mwFreebase	457.672
chemicalCompound:alogp	5.759
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	107.67
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.155
chemicalCompound:acdLogD	1.905
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	457.672
chemicalCompound:acdMostBpk...	14.357
chemicalCompound:chemblId	CHEMBL147989
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343730
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:962607