100722

Source:http://linkedlifedata.com/resource/chembl/compound/100722

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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/C25H35ClO7/c1-5-6-7-8-9-10-14-25(31)16-21(26)24(30)20(25)15-19(17(2)27)22(33-18(3)28)12-11-13-23(29)32-4/h9-10,15-16,19,22,31H,5-8,11-14H2,1-4H3/b10-9-,20-15+/t19-,22+,25-/m1/s1
chemicalCompound:standardIn...	AOJGKPUHSISGHQ-HYBNKAMISA-N
chemicalCompound:canonicalS...	CCCCC\C=C/C[C@@]1(O)C=C(Cl)C(=O)/C/1=C\[C@@H]([C@H](CCCC(=O)OC)OC(=O)C)C(=O)C
chemicalCompound:molecularF...	C25 H35 Cl O7
chemicalCompound:moleculeId	100722
chemicalCompound:mwFreebase	482.994
chemicalCompound:alogp	3.928
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	106.97
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.764
chemicalCompound:acdLogP	3.232
chemicalCompound:acdLogD	3.232
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	482.994
chemicalCompound:chemblId	CHEMBL293403
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200722
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:986828, activity:986829, activity:986830, activity:986831