750626

Source:http://linkedlifedata.com/resource/chembl/compound/750626

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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/C24H27N3O3S/c1-18-6-8-19(9-7-18)24(29)25-10-11-27-16-22(20-4-2-3-5-21(20)27)31-17-23(28)26-12-14-30-15-13-26/h2-9,16H,10-15,17H2,1H3,(H,25,29)
chemicalCompound:standardIn...	VGGZDCXGAKWTFG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c4ccccc24
chemicalCompound:molecularF...	C24H27N3O3S
chemicalCompound:moleculeId	750626
chemicalCompound:mwFreebase	437.554
chemicalCompound:alogp	3.167
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	88.87
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.99
chemicalCompound:acdLogD	3.99
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.554
chemicalCompound:chemblId	CHEMBL1326742
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:850626
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:4306424, activity:4685479, activity:4995825, activity:5650268, activity:5890883, activity:6633588, activity:6935700, activity:7420102